ChemSpider 2D Image | idasanutlin | C31H29Cl2F2N3O4

idasanutlin

  • Molecular FormulaC31H29Cl2F2N3O4
  • Average mass616.482 Da
  • Monoisotopic mass615.150330 Da
  • ChemSpider ID30831264
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

1229705-06-9 [RN]
4-{[(3S,4R,5S)-3-(3-Chlor-2-fluorphenyl)-4-(4-chlor-2-fluorphenyl)-4-cyan-5-(2,2-dimethylpropyl)-D-prolyl]amino}-3-methoxybenzoesäure [German] [ACD/IUPAC Name]
4-{[(3S,4R,5S)-3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-D-prolyl]amino}-3-methoxybenzoic acid [ACD/IUPAC Name]
Acide 4-{[(3S,4R,5S)-3-(3-chloro-2-fluorophényl)-4-(4-chloro-2-fluorophényl)-4-cyano-5-(2,2-diméthylpropyl)-D-prolyl]amino}-3-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[(2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-2-pyrrolidinyl]carbonyl]amino]-3-methoxy- [ACD/Index Name]
idasanutlin [INN] [USAN]
idasanutlina [Spanish] [INN]
idasanutline [French] [INN]
idasanutlinum [Latin] [INN]
RG7388
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

RG-7388 [DBID]
RO-5503781 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 737.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 399.7±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 154.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 5916.80
ACD/KOC (pH 5.5): 7003.46
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 206.02
ACD/KOC (pH 7.4): 243.86
Polar Surface Area: 111 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 439.4±5.0 cm3

Click to predict properties on the Chemicalize site






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