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ChemSpider 2D Image | amcasertib | C31H33N5O2S


  • Molecular FormulaC31H33N5O2S
  • Average mass539.691 Da
  • Monoisotopic mass539.235474 Da
  • ChemSpider ID44208821
  • Double-bond stereo - Double-bond stereo

More details:

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

1129403-56-0 [RN]
1H-Pyrrole-3-carboxamide, N-[2-(diethylamino)ethyl]-5-[(Z)-[1,2-dihydro-2-oxo-5-(2-phenyl-4-thiazolyl)-3H-indol-3-ylidene]methyl]-2,4-dimethyl- [ACD/Index Name]
amcasertib [INN] [USAN]
amcasertib [French] [INN]
amcasertib [Spanish] [INN]
amcasertibum [Latin] [INN]
N-[2-(Diethylamino)ethyl]-2,4-dimethyl-5-{(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydro-3H-indol-3-yliden]methyl}-1H-pyrrol-3-carboxamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 158.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 2.57
ACD/KOC (pH 5.5): 9.53
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 39.41
ACD/KOC (pH 7.4): 146.28
Polar Surface Area: 118 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 433.1±3.0 cm3

Click to predict properties on the Chemicalize site