ChemSpider 2D Image | (3Z)-N-[5-(Benzoylamino)-2-methylphenyl]-3-[(3,5-dimethyl-4-{[2-(1-pyrrolidinyl)ethyl]carbamoyl}-1H-pyrrol-2-yl)methylene]-2-oxo-6-indolinecarboxamide | C37H38N6O4

(3Z)-N-[5-(Benzoylamino)-2-methylphenyl]-3-[(3,5-dimethyl-4-{[2-(1-pyrrolidinyl)ethyl]carbamoyl}-1H-pyrrol-2-yl)methylene]-2-oxo-6-indolinecarboxamide

  • Molecular FormulaC37H38N6O4
  • Average mass630.735 Da
  • Monoisotopic mass630.295471 Da
  • ChemSpider ID9803527

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-N-[5-(Benzoylamino)-2-methylphenyl]-3-[(3,5-dimethyl-4-{[2-(1-pyrrolidinyl)ethyl]carbamoyl}-1H-pyrrol-2-yl)methylen]-2-oxo-6-indolincarboxamid [German] [ACD/IUPAC Name]
(3Z)-N-[5-(Benzoylamino)-2-methylphenyl]-3-[(3,5-dimethyl-4-{[2-(1-pyrrolidinyl)ethyl]carbamoyl}-1H-pyrrol-2-yl)methylene]-2-oxo-6-indolinecarboxamide [ACD/IUPAC Name]
(3Z)-N-[5-(Benzoylamino)-2-méthylphényl]-3-[(3,5-diméthyl-4-{[2-(1-pyrrolidinyl)éthyl]carbamoyl}-1H-pyrrol-2-yl)méthylène]-2-oxo-6-indolinecarboxamide [French] [ACD/IUPAC Name]
1H-Indole-6-carboxamide, N-[5-(benzoylamino)-2-methylphenyl]-3-[[3,5-dimethyl-4-[[[2-(1-pyrrolidinyl)ethyl]amino]carbonyl]-1H-pyrrol-2-yl]methylene]-2,3-dihydro-2-oxo-, (3Z)- [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: 730.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 395.8±32.9 °C
Index of Refraction: 1.701
Molar Refractivity: 184.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 1.23
ACD/KOC (pH 5.5): 5.76
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 24.43
ACD/KOC (pH 7.4): 114.05
Polar Surface Area: 135 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 476.4±3.0 cm3

Click to predict properties on the Chemicalize site


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