ChemSpider 2D Image | (6E)-7-[4-(4-{[3-(1-Cyclohexylethoxy)propyl]carbamoyl}-1,3-oxazol-2-yl)phenyl]-7-(3-pyridinyl)-6-heptenoic acid | C33H41N3O5

(6E)-7-[4-(4-{[3-(1-Cyclohexylethoxy)propyl]carbamoyl}-1,3-oxazol-2-yl)phenyl]-7-(3-pyridinyl)-6-heptenoic acid

  • Molecular FormulaC33H41N3O5
  • Average mass559.696 Da
  • Monoisotopic mass559.304626 Da
  • ChemSpider ID8706283

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-7-[4-(4-{[3-(1-Cyclohexylethoxy)propyl]carbamoyl}-1,3-oxazol-2-yl)phenyl]-7-(3-pyridinyl)-6-heptenoic acid [ACD/IUPAC Name]
(6E)-7-[4-(4-{[3-(1-Cyclohexylethoxy)propyl]carbamoyl}-1,3-oxazol-2-yl)phenyl]-7-(3-pyridinyl)-6-heptensäure [German] [ACD/IUPAC Name]
(6E)-7-[4-(4-{[3-(1-cyclohexylethoxy)propyl]carbamoyl}-1,3-oxazol-2-yl)phenyl]-7-(pyridin-3-yl)hept-6-enoic acid
6-Heptenoic acid, 7-[4-[4-[[[3-(1-cyclohexylethoxy)propyl]amino]carbonyl]-2-oxazolyl]phenyl]-7-(3-pyridinyl)-, (6E)- [ACD/Index Name]
Acide (6E)-7-[4-(4-{[3-(1-cyclohexyléthoxy)propyl]carbamoyl}-1,3-oxazol-2-yl)phényl]-7-(3-pyridinyl)-6-hepténoïque [French] [ACD/IUPAC Name]
(E)-7-(4-{4-[3-(1-Cyclohexyl-ethoxy)-propylcarbamoyl]-oxazol-2-yl}-phenyl)-7-pyridin-3-yl-hept-6-enoic acid
CHEMBL150206

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: 1.564
Molar Refractivity: 157.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1051.23
ACD/KOC (pH 5.5): 2763.18
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 19.11
ACD/KOC (pH 7.4): 50.23
Polar Surface Area: 115 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 485.3±3.0 cm3

Click to predict properties on the Chemicalize site


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