ChemSpider 2D Image | 2-Methyl-2-propanyl (1-{(2E)-2-[6'-(4-methoxyphenyl)-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-ylidene]hydrazino}-1-oxo-2-butanyl)carbamate | C33H41N3O6

2-Methyl-2-propanyl (1-{(2E)-2-[6'-(4-methoxyphenyl)-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-ylidene]hydrazino}-1-oxo-2-butanyl)carbamate

  • Molecular FormulaC33H41N3O6
  • Average mass575.695 Da
  • Monoisotopic mass575.299561 Da
  • ChemSpider ID21859112

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Methyl-2-propanyl (1-{(2E)-2-[6'-(4-methoxyphenyl)-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-ylidene]hydrazino}-1-oxo-2-butanyl)carbamate [ACD/IUPAC Name]
Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, 2-[(8E)-3,4-dihydro-6-(4-methoxyphenyl)spiro[2H,8H-benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexan]-8-ylidene]hydrazide [ACD/Index Name]
(E)-tert-butyl (1-(2-(6'-(4-methoxyphenyl)-3'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'(4'H)-ylidene)hydrazinyl)-1-oxobutan-2-yl)carbamate
1222389-14-1 [RN]
tert-butyl (1-{(2E)-2-[6'-(4-methoxyphenyl)-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-ylidene]hydrazinyl}-1-oxobutan-2-yl)carbamate
tert-butyl [1-({(2E)-2-[6'-(4-methoxyphenyl)-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-ylidene]hydrazino}carbonyl)propyl]carbamate (non-preferred name)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.603
Molar Refractivity: 158.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.99
ACD/LogD (pH 5.5): 7.51
ACD/BCF (pH 5.5): 298320.97
ACD/KOC (pH 5.5): 288634.75
ACD/LogD (pH 7.4): 7.51
ACD/BCF (pH 7.4): 297592.09
ACD/KOC (pH 7.4): 287929.53
Polar Surface Area: 107 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 461.3±7.0 cm3

Click to predict properties on the Chemicalize site


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