ChemSpider 2D Image | (3S,4R)-4-{Butyl[(4-ethylphenyl)sulfonyl]amino}-3-hydroxy-2,2-dimethyl-N-(2-phenylethyl)-6-chromanecarboxamide | C32H40N2O5S

(3S,4R)-4-{Butyl[(4-ethylphenyl)sulfonyl]amino}-3-hydroxy-2,2-dimethyl-N-(2-phenylethyl)-6-chromanecarboxamide

  • Molecular FormulaC32H40N2O5S
  • Average mass564.735 Da
  • Monoisotopic mass564.265808 Da
  • ChemSpider ID23286693

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R)-4-{butyl[(4-ethylphenyl)sulfonyl]amino}-3-hydroxy-2,2-dimethyl-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-6-carboxamide
(3S,4R)-4-{Butyl[(4-ethylphenyl)sulfonyl]amino}-3-hydroxy-2,2-dimethyl-N-(2-phenylethyl)-6-chromancarboxamid [German] [ACD/IUPAC Name]
(3S,4R)-4-{Butyl[(4-ethylphenyl)sulfonyl]amino}-3-hydroxy-2,2-dimethyl-N-(2-phenylethyl)-6-chromanecarboxamide [ACD/IUPAC Name]
(3S,4R)-4-{Butyl[(4-éthylphényl)sulfonyl]amino}-3-hydroxy-2,2-diméthyl-N-(2-phényléthyl)-6-chromanecarboxamide [French] [ACD/IUPAC Name]
2H-1-Benzopyran-6-carboxamide, 4-[butyl[(4-ethylphenyl)sulfonyl]amino]-3,4-dihydro-3-hydroxy-2,2-dimethyl-N-(2-phenylethyl)-, (3S,4R)- [ACD/Index Name]
(3S,4R)-4-(N-butyl-4-ethylphenylsulfonamido)-3-hydroxy-2,2-dimethyl-N-phenethylchroman-6-carboxamide
CHEMBL230671

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: 1.621
Molar Refractivity: 158.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.01
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 15910.56
ACD/KOC (pH 5.5): 35412.27
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15910.52
ACD/KOC (pH 7.4): 35412.20
Polar Surface Area: 104 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 451.1±5.0 cm3

Click to predict properties on the Chemicalize site


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