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

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

  • Molecular FormulaC32H34Cl2N4O4S
  • Average mass641.608 Da
  • Monoisotopic mass640.167786 Da
  • ChemSpider ID13238444

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-5-[(2,6-Dichlorbenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl}-1H-pyrrol-2-yl)methylen]-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
(3E)-5-[(2,6-Dichlorobenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl}-1H-pyrrol-2-yl)methylene]-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
(3E)-5-[(2,6-Dichlorobenzyl)sulfonyl]-3-[(3,5-diméthyl-4-{[2-(1-pyrrolidinylméthyl)-1-pyrrolidinyl]carbonyl}-1H-pyrrol-2-yl)méthylène]-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]
2H-Indol-2-one, 5-[[(2,6-dichlorophenyl)methyl]sulfonyl]-3-[[3,5-dimethyl-4-[[2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl]-1H-pyrrol-2-yl]methylene]-1,3-dihydro-, (3E)- [ACD/Index Name]
477575-56-7 [RN]

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

Density: 1.4±0.0 g/cm3
Boiling Point: 890.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 129.4±0.0 kJ/mol
Flash Point: 492.2±0.0 °C
Index of Refraction: 1.655
Molar Refractivity: 167.8±0.0 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.59
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 11.20
ACD/KOC (pH 7.4): 62.02
Polar Surface Area: 111 Å2
Polarizability: 66.5±0.0 10-24cm3
Surface Tension: 62.3±0.0 dyne/cm
Molar Volume: 456.9±0.0 cm3

Click to predict properties on the Chemicalize site


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