ChemSpider 2D Image | 7919 | C35H37N3O2

7919

  • Molecular FormulaC35H37N3O2
  • Average mass531.687 Da
  • Monoisotopic mass531.288574 Da
  • ChemSpider ID4676524
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S)-2-Cyclopentyl-2-{3-[(2,4-dimethyl-9H-pyrido[2,3-b]indol-9-yl)methyl]phenyl}-N-[(1R)-2-hydroxy-1-phenylethyl]acetamid [German] [ACD/IUPAC Name]
(2S)-2-Cyclopentyl-2-{3-[(2,4-dimethyl-9H-pyrido[2,3-b]indol-9-yl)methyl]phenyl}-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide [ACD/IUPAC Name]
(2S)-2-Cyclopentyl-2-{3-[(2,4-diméthyl-9H-pyrido[2,3-b]indol-9-yl)méthyl]phényl}-N-[(1R)-2-hydroxy-1-phényléthyl]acétamide [French] [ACD/IUPAC Name]
177469-96-4 [RN]
7919
Benzeneacetamide, α-cyclopentyl-3-[(2,4-dimethyl-9H-pyrido[2,3-b]indol-9-yl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-, (αS)- [ACD/Index Name]
Q70OH404HR
(2S)-2-cyclopentyl-2-[3-({2,4-dimethyl-9H-pyrido[2,3-b]indol-9-yl}methyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
(2S)-2-cyclopentyl-2-[3-({2,4-dimethylpyrido[2,3-b]indol-9-yl}methyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
(2S)-2-cyclopentyl-2-[3-[(2,4-dimethyl-9-pyrido[2,3-b]indolyl)methyl]phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 739.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 400.9±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 160.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 1505.64
ACD/KOC (pH 5.5): 2578.29
ACD/LogD (pH 7.4): 6.23
ACD/BCF (pH 7.4): 29643.57
ACD/KOC (pH 7.4): 50762.23
Polar Surface Area: 67 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 437.1±7.0 cm3

Click to predict properties on the Chemicalize site






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