ChemSpider 2D Image | Benzyl (6-{2-[3-(hydroxymethyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-3-isopropyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl)carbamate | C33H41N3O7

Benzyl (6-{2-[3-(hydroxymethyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-3-isopropyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl)carbamate

  • Molecular FormulaC33H41N3O7
  • Average mass591.695 Da
  • Monoisotopic mass591.294434 Da
  • ChemSpider ID3359190

More details:

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

(6-{2-[3-(Hydroxyméthyl)-3,4-dihydro-2(1H)-isoquinoléinyl]-2-oxoéthyl}-3-isopropyl-5,12-dioxo-1-oxa-4-azacyclododéc-8-én-11-yl)carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl (6-{2-[3-(hydroxymethyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-3-isopropyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl)carbamate [ACD/IUPAC Name]
Benzyl-(6-{2-[3-(hydroxymethyl)-3,4-dihydro-2(1H)-isochinolinyl]-2-oxoethyl}-3-isopropyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[6-[2-[3,4-dihydro-3-(hydroxymethyl)-2(1H)-isoquinolinyl]-2-oxoethyl]-3-(1-methylethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]-, phenylmethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 872.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.8±3.0 kJ/mol
Flash Point: 481.3±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 161.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 169.64
ACD/KOC (pH 5.5): 1372.46
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 169.56
ACD/KOC (pH 7.4): 1371.82
Polar Surface Area: 134 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 467.0±5.0 cm3

Click to predict properties on the Chemicalize site


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