ChemSpider 2D Image | 5-{(Z)-[6-({[3-(Benzoylamino)phenyl]carbamoyl}amino)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]methyl}-2,4-dimethyl-N-[2-(1-pyrrolidinyl)ethyl]-1H-pyrrole-3-carboxamide | C36H37N7O4

5-{(Z)-[6-({[3-(Benzoylamino)phenyl]carbamoyl}amino)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]methyl}-2,4-dimethyl-N-[2-(1-pyrrolidinyl)ethyl]-1H-pyrrole-3-carboxamide

  • Molecular FormulaC36H37N7O4
  • Average mass631.724 Da
  • Monoisotopic mass631.290710 Da
  • ChemSpider ID9731173

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrrole-3-carboxamide, 5-[(Z)-[6-[[[[3-(benzoylamino)phenyl]amino]carbonyl]amino]-1,2-dihydro-2-oxo-3H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(1-pyrrolidinyl)ethyl]- [ACD/Index Name]
5-{(Z)-[6-({[3-(Benzoylamino)phenyl]carbamoyl}amino)-2-oxo-1,2-dihydro-3H-indol-3-yliden]methyl}-2,4-dimethyl-N-[2-(1-pyrrolidinyl)ethyl]-1H-pyrrol-3-carboxamid [German] [ACD/IUPAC Name]
5-{(Z)-[6-({[3-(Benzoylamino)phenyl]carbamoyl}amino)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]methyl}-2,4-dimethyl-N-[2-(1-pyrrolidinyl)ethyl]-1H-pyrrole-3-carboxamide [ACD/IUPAC Name]
5-{(Z)-[6-({[3-(Benzoylamino)phényl]carbamoyl}amino)-2-oxo-1,2-dihydro-3H-indol-3-ylidène]méthyl}-2,4-diméthyl-N-[2-(1-pyrrolidinyl)éthyl]-1H-pyrrole-3-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 717.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 387.9±32.9 °C
Index of Refraction: 1.727
Molar Refractivity: 183.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 5.51
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 22.94
ACD/KOC (pH 7.4): 109.00
Polar Surface Area: 147 Å2
Polarizability: 72.8±0.5 10-24cm3
Surface Tension: 73.1±3.0 dyne/cm
Molar Volume: 461.7±3.0 cm3

Click to predict properties on the Chemicalize site


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