ChemSpider 2D Image | 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]METHYL}PIPERAZIN-2-ONE | C22H21ClN4O4S2

4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]METHYL}PIPERAZIN-2-ONE

  • Molecular FormulaC22H21ClN4O4S2
  • Average mass505.009 Da
  • Monoisotopic mass504.069275 Da
  • ChemSpider ID394487

More details:

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

2-Piperazinone, 4-[(6-chlorobenzo[b]thien-2-yl)sulfonyl]-1-[[1-(2-hydroxyethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]- [ACD/Index Name]
4-[(6-Chlor-1-benzothiophen-2-yl)sulfonyl]-1-{[1-(2-hydroxyethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl}-2-piperazinon [German] [ACD/IUPAC Name]
4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]METHYL}PIPERAZIN-2-ONE
4-[(6-Chloro-1-benzothiophen-2-yl)sulfonyl]-1-{[1-(2-hydroxyethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl}-2-piperazinone [ACD/IUPAC Name]
4-[(6-Chloro-1-benzothiophén-2-yl)sulfonyl]-1-{[1-(2-hydroxyéthyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]méthyl}-2-pipérazinone [French] [ACD/IUPAC Name]
RDR
RPR208944

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

Density: 1.6±0.1 g/cm3
Boiling Point: 817.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.5±3.0 kJ/mol
Flash Point: 448.0±37.1 °C
Index of Refraction: 1.748
Molar Refractivity: 130.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.73
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 23.63
ACD/KOC (pH 7.4): 203.78
Polar Surface Area: 132 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 69.5±7.0 dyne/cm
Molar Volume: 319.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement