ChemSpider 2D Image | 5-[(2,6-Dichlorobenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl}-1H-pyrrol-2-yl)methyl]-2H-indol-2-one | C32H34Cl2N4O4S

5-[(2,6-Dichlorobenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl}-1H-pyrrol-2-yl)methyl]-2H-indol-2-one

  • Molecular FormulaC32H34Cl2N4O4S
  • Average mass641.608 Da
  • Monoisotopic mass640.167786 Da
  • ChemSpider ID61714188

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2H-Indol-2-one, 5-[[(2,6-dichlorophenyl)methyl]sulfonyl]-3-[[3,5-dimethyl-4-[[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl]-1H-pyrrol-2-yl]methyl]- [ACD/Index Name]
5-[(2,6-Dichlorbenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl}-1H-pyrrol-2-yl)methyl]-2H-indol-2-on [German] [ACD/IUPAC Name]
5-[(2,6-Dichlorobenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl}-1H-pyrrol-2-yl)methyl]-2H-indol-2-one [ACD/IUPAC Name]
5-[(2,6-Dichlorobenzyl)sulfonyl]-3-[(3,5-diméthyl-4-{[(2S)-2-(1-pyrrolidinylméthyl)-1-pyrrolidinyl]carbonyl}-1H-pyrrol-2-yl)méthyl]-2H-indol-2-one [French] [ACD/IUPAC Name]
(3z)-5-[(2,6-Dichlorobenzyl)sulfonyl]-3-[(3,5-Dimethyl-4-{[(2s)-2-(Pyrrolidin-1-Ylmethyl)pyrrolidin-1-Yl]carbonyl}-1h-Pyrrol-2-Yl)methylidene]-1,3-Dihydro-2h-Indol-2-One
PFY

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

Density: 1.5±0.1 g/cm3
Boiling Point: 845.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 122.9±3.0 kJ/mol
Flash Point: 465.2±37.1 °C
Index of Refraction: 1.698
Molar Refractivity: 169.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.06
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 4.43
ACD/KOC (pH 7.4): 30.00
Polar Surface Area: 111 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 438.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement