ChemSpider 2D Image | (4S)-4-Amino-N-[(2S,3S)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]-6-chromanecarboxamide | C31H39N3O6S

(4S)-4-Amino-N-[(2S,3S)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]-6-chromanecarboxamide

  • Molecular FormulaC31H39N3O6S
  • Average mass581.723 Da
  • Monoisotopic mass581.255981 Da
  • ChemSpider ID59053570

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4s)-4-Amino-N-[(2s,3s)-3-Hydroxy-4-{[(4-Methoxyphenyl)sulfonyl](2-Methylpropyl)amino}-1-Phenylbutan-2-Yl]-3,4-Dihydro-2h-Chromene-6-Carboxamide
(4S)-4-Amino-N-[(2S,3S)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]-6-chromancarboxamid [German] [ACD/IUPAC Name]
(4S)-4-Amino-N-[(2S,3S)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]-6-chromanecarboxamide [ACD/IUPAC Name]
(4S)-4-Amino-N-[(2S,3S)-3-hydroxy-4-{isobutyl[(4-méthoxyphényl)sulfonyl]amino}-1-phényl-2-butanyl]-6-chromanecarboxamide [French] [ACD/IUPAC Name]
2H-1-Benzopyran-6-carboxamide, 4-amino-3,4-dihydro-N-[(1S,2S)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (4S)- [ACD/Index Name]
79G

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 159.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 6.70
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 51.85
ACD/KOC (pH 7.4): 290.60
Polar Surface Area: 140 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 467.5±3.0 cm3

Click to predict properties on the Chemicalize site


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