ChemSpider 2D Image | N~2~-[(Benzyloxy)carbonyl]-N-[3-({[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonyl}amino)-2-oxopropyl]-L-leucinamide | C30H31ClN4O7S

N2-[(Benzyloxy)carbonyl]-N-[3-({[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonyl}amino)-2-oxopropyl]-L-leucinamide

  • Molecular FormulaC30H31ClN4O7S
  • Average mass627.108 Da
  • Monoisotopic mass626.160217 Da
  • ChemSpider ID8524473

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-1-[[[3-[[[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonyl]amino]-2-oxopropyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester [ACD/Index Name]
N2-[(Benzyloxy)carbonyl]-N-[3-({[4-(3-chlor-2-cyanphenoxy)phenyl]sulfonyl}amino)-2-oxopropyl]-L-leucinamid [German] [ACD/IUPAC Name]
N2-[(Benzyloxy)carbonyl]-N-[3-({[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonyl}amino)-2-oxopropyl]-L-leucinamide [ACD/IUPAC Name]
N2-[(Benzyloxy)carbonyl]-N-[3-({[4-(3-chloro-2-cyanophénoxy)phényl]sulfonyl}amino)-2-oxopropyl]-L-leucinamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 160.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2366.49
ACD/KOC (pH 5.5): 9049.66
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2163.13
ACD/KOC (pH 7.4): 8271.98
Polar Surface Area: 172 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 452.8±5.0 cm3

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