ChemSpider 2D Image | 6-[(6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]heptanamide | C32H44N2O5S

6-[(6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]heptanamide

  • Molecular FormulaC32H44N2O5S
  • Average mass568.767 Da
  • Monoisotopic mass568.297119 Da
  • ChemSpider ID8706465

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

6-[(6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]heptanamid [German] [ACD/IUPAC Name]
6-[(6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]heptanamide [ACD/IUPAC Name]
6-[(6aR,10aR)-1-Hydroxy-6,6,9-triméthyl-6a,7,10,10a-tétrahydro-6H-benzo[c]chromén-3-yl]-6-méthyl-N-[2-(4-sulfamoylphényl)éthyl]heptanamide [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-3-hexanamide, N-[2-[4-(aminosulfonyl)phenyl]ethyl]-6a,7,10,10a-tetrahydro-1-hydroxy-ε,ε,6,6,9-pentamethyl-, (6aR,10aR)- [ACD/Index Name]
6-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl)-6-methyl-heptanoic acid [2-(4-sulfamoyl-phenyl)-ethyl]-amide
CHEMBL140404

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.565
Molar Refractivity: 159.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 31558.40
ACD/KOC (pH 5.5): 57815.14
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 31378.63
ACD/KOC (pH 7.4): 57485.80
Polar Surface Area: 127 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 488.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement