ChemSpider 2D Image | (4aS,8aS)-2-{3-[(5R)-3-Acetyl-5-benzyl-2-oxo-1-pyrrolidinyl]-2-hydroxypropyl}-N-(2-methyl-2-propanyl)decahydro-3-isoquinolinecarboxamide | C30H45N3O4

(4aS,8aS)-2-{3-[(5R)-3-Acetyl-5-benzyl-2-oxo-1-pyrrolidinyl]-2-hydroxypropyl}-N-(2-methyl-2-propanyl)decahydro-3-isoquinolinecarboxamide

  • Molecular FormulaC30H45N3O4
  • Average mass511.696 Da
  • Monoisotopic mass511.341003 Da
  • ChemSpider ID419022

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

(4aS,8aS)-2-{3-[(5R)-3-Acetyl-5-benzyl-2-oxo-1-pyrrolidinyl]-2-hydroxypropyl}-N-(2-methyl-2-propanyl)decahydro-3-isochinolincarboxamid [German] [ACD/IUPAC Name]
(4aS,8aS)-2-{3-[(5R)-3-Acétyl-5-benzyl-2-oxo-1-pyrrolidinyl]-2-hydroxypropyl}-N-(2-méthyl-2-propanyl)décahydro-3-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
(4aS,8aS)-2-{3-[(5R)-3-Acetyl-5-benzyl-2-oxo-1-pyrrolidinyl]-2-hydroxypropyl}-N-(2-methyl-2-propanyl)decahydro-3-isoquinolinecarboxamide [ACD/IUPAC Name]
3-Isoquinolinecarboxamide, 2-[3-[(5R)-3-acetyl-2-oxo-5-(phenylmethyl)-1-pyrrolidinyl]-2-hydroxypropyl]-N-(1,1-dimethylethyl)decahydro-, (4aS,8aS)- [ACD/Index Name]
(4aS,8aS)-2-[3-((R)-3-Acetyl-5-benzyl-2-oxo-pyrrolidin-1-yl)-2-hydroxy-propyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide

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

AIDS088609 [DBID]
AIDS-088609 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 731.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 396.4±32.9 °C
Index of Refraction: 1.548
Molar Refractivity: 143.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 95.05
ACD/KOC (pH 5.5): 643.31
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 308.75
ACD/KOC (pH 7.4): 2089.65
Polar Surface Area: 90 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 452.9±3.0 cm3

Click to predict properties on the Chemicalize site


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