ChemSpider 2D Image | 4-(4-{[4-(4-Chlorophenyl)-6,6-dimethyl-5,6-dihydro-2H-pyran-3-yl]methyl}-1-piperazinyl)-2-(1H-indol-5-yloxy)-N-({4-[(1-methyl-4-piperidinyl)amino]-3-nitrophenyl}sulfonyl)benzamide | C45H50ClN7O7S

4-(4-{[4-(4-Chlorophenyl)-6,6-dimethyl-5,6-dihydro-2H-pyran-3-yl]methyl}-1-piperazinyl)-2-(1H-indol-5-yloxy)-N-({4-[(1-methyl-4-piperidinyl)amino]-3-nitrophenyl}sulfonyl)benzamide

  • Molecular FormulaC45H50ClN7O7S
  • Average mass868.439 Da
  • Monoisotopic mass867.318115 Da
  • ChemSpider ID76721983

More details:

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

4-(4-{[4-(4-Chlorophenyl)-6,6-dimethyl-5,6-dihydro-2H-pyran-3-yl]methyl}-1-piperazinyl)-2-(1H-indol-5-yloxy)-N-({4-[(1-methyl-4-piperidinyl)amino]-3-nitrophenyl}sulfonyl)benzamide [ACD/IUPAC Name]
4-(4-{[4-(4-Chlorophényl)-6,6-diméthyl-5,6-dihydro-2H-pyran-3-yl]méthyl}-1-pipérazinyl)-2-(1H-indol-5-yloxy)-N-({4-[(1-méthyl-4-pipéridinyl)amino]-3-nitrophényl}sulfonyl)benzamide [French] [ACD/IUPAC Name]
4-(4-{[4-(4-Chlorphenyl)-6,6-dimethyl-5,6-dihydro-2H-pyran-3-yl]methyl}-1-piperazinyl)-2-(1H-indol-5-yloxy)-N-({4-[(1-methyl-4-piperidinyl)amino]-3-nitrophenyl}sulfonyl)benzamid [German] [ACD/IUPAC Name]
Benzamide, 4-[4-[[4-(4-chlorophenyl)-5,6-dihydro-6,6-dimethyl-2H-pyran-3-yl]methyl]-1-piperazinyl]-2-(1H-indol-5-yloxy)-N-[[4-[(1-methyl-4-piperidinyl)amino]-3-nitrophenyl]sulfonyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 235.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 9.05
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 282.59
ACD/KOC (pH 5.5): 268.30
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 1075.72
ACD/KOC (pH 7.4): 1021.33
Polar Surface Area: 173 Å2
Polarizability: 93.5±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 645.6±3.0 cm3

Click to predict properties on the Chemicalize site


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