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

(3Z)-5-[(2,6-Dichlorobenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2S)-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 ID25058330

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3Z)-5-[(2,6-Dichlorbenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl}-1H-pyrrol-2-yl)methylen]-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
(3Z)-5-[(2,6-Dichlorobenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl}-1H-pyrrol-2-yl)methylene]-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
(3Z)-5-[(2,6-Dichlorobenzyl)sulfonyl]-3-[(3,5-diméthyl-4-{[(2S)-2-(1-pyrrolidinylméthyl)-1-pyrrolidinyl]carbonyl}-1H-pyrrol-2-yl)méthylène]-1,3-dihydro-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
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]methylene]-1,3-dihydro-, (3Z)- [ACD/Index 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: 890.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.4±3.0 kJ/mol
Flash Point: 492.2±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 167.8±0.4 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): 1.68
ACD/BCF (pH 5.5): 2.14
ACD/KOC (pH 5.5): 8.43
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 36.26
ACD/KOC (pH 7.4): 142.75
Polar Surface Area: 111 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 456.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement