ChemSpider 2D Image | N-{2-[4-({3-[(1R)-3-Cyclohexen-1-yl]-2-imino-1-imidazolidinyl}sulfonyl)phenyl]ethyl}butanamide | C21H30N4O3S

N-{2-[4-({3-[(1R)-3-Cyclohexen-1-yl]-2-imino-1-imidazolidinyl}sulfonyl)phenyl]ethyl}butanamide

  • Molecular FormulaC21H30N4O3S
  • Average mass418.553 Da
  • Monoisotopic mass418.203857 Da
  • ChemSpider ID64854579

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Butanamide, N-[2-[4-[[3-[(1R)-3-cyclohexen-1-yl]-2-imino-1-imidazolidinyl]sulfonyl]phenyl]ethyl]- [ACD/Index Name]
N-{2-[4-({3-[(1R)-3-Cyclohexen-1-yl]-2-imino-1-imidazolidinyl}sulfonyl)phenyl]ethyl}butanamid [German] [ACD/IUPAC Name]
N-{2-[4-({3-[(1R)-3-Cyclohexen-1-yl]-2-imino-1-imidazolidinyl}sulfonyl)phenyl]ethyl}butanamide [ACD/IUPAC Name]
N-{2-[4-({3-[(1R)-3-Cyclohexén-1-yl]-2-imino-1-imidazolidinyl}sulfonyl)phényl]éthyl}butanamide [French] [ACD/IUPAC Name]

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

P9I08W532U [DBID]

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: 1.626
Molar Refractivity: 115.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.59
ACD/KOC (pH 5.5): 162.25
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.59
ACD/KOC (pH 7.4): 162.25
Polar Surface Area: 102 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 324.7±7.0 cm3

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