ChemSpider 2D Image | N-{2-[(1-Cyclohexyl-3,4-dihydroxy-6-methyl-2-heptanyl)amino]-1-(ethylsulfanyl)-2-oxoethyl}-Nalpha-(4-morpholinylsulfonyl)phenylalaninamide | C31H52N4O7S2

N-{2-[(1-Cyclohexyl-3,4-dihydroxy-6-methyl-2-heptanyl)amino]-1-(ethylsulfanyl)-2-oxoethyl}-Nα-(4-morpholinylsulfonyl)phenylalaninamide

  • Molecular FormulaC31H52N4O7S2
  • Average mass656.897 Da
  • Monoisotopic mass656.327759 Da
  • ChemSpider ID21395613

More details:

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

Benzenepropanamide, N-[2-[[1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]amino]-1-(ethylthio)-2-oxoethyl]-α-[(4-morpholinylsulfonyl)amino]- [ACD/Index Name]
N-[(1r)-2-{[(1r,2r,3s)-1-(Cyclohexylmethyl)-2,3-Dihydroxy-5-Methylhexyl]amino}-1-(Ethylsulfanyl)-2-Oxoethyl]-Nα-(Morpholin-4-Ylsulfonyl)-D-Phenylalaninamide
N-{2-[(1-Cyclohexyl-3,4-dihydroxy-6-methyl-2-heptanyl)amino]-1-(ethylsulfanyl)-2-oxoethyl}-Nα-(4-morpholinylsulfonyl)phenylalaninamid [German] [ACD/IUPAC Name]
N-{2-[(1-Cyclohexyl-3,4-dihydroxy-6-methyl-2-heptanyl)amino]-1-(ethylsulfanyl)-2-oxoethyl}-Nα-(4-morpholinylsulfonyl)phenylalaninamide [ACD/IUPAC Name]
N-{2-[(1-Cyclohexyl-3,4-dihydroxy-6-méthyl-2-heptanyl)amino]-1-(éthylsulfanyl)-2-oxoéthyl}-Nα-(4-morpholinylsulfonyl)phénylalaninamide [French] [ACD/IUPAC 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: 1.589
Molar Refractivity: 175.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 635.46
ACD/KOC (pH 5.5): 3530.01
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 635.25
ACD/KOC (pH 7.4): 3528.84
Polar Surface Area: 191 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 519.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement