ChemSpider 2D Image | Benzyl {1-[(1-{[1-(1,3-benzothiazol-2-yl)-5-(diethylamino)-1,5-dioxo-2-pentanyl]amino}-4-methyl-1-oxo-2-pentanyl)amino]-3-methyl-1-oxo-2-butanyl}carbamate | C35H47N5O6S

Benzyl {1-[(1-{[1-(1,3-benzothiazol-2-yl)-5-(diethylamino)-1,5-dioxo-2-pentanyl]amino}-4-methyl-1-oxo-2-pentanyl)amino]-3-methyl-1-oxo-2-butanyl}carbamate

  • Molecular FormulaC35H47N5O6S
  • Average mass665.843 Da
  • Monoisotopic mass665.324707 Da
  • ChemSpider ID24611446

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{1-[(1-{[1-(1,3-Benzothiazol-2-yl)-5-(diéthylamino)-1,5-dioxo-2-pentanyl]amino}-4-méthyl-1-oxo-2-pentanyl)amino]-3-méthyl-1-oxo-2-butanyl}carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl {1-[(1-{[1-(1,3-benzothiazol-2-yl)-5-(diethylamino)-1,5-dioxo-2-pentanyl]amino}-4-methyl-1-oxo-2-pentanyl)amino]-3-methyl-1-oxo-2-butanyl}carbamate [ACD/IUPAC Name]
Benzyl-{1-[(1-{[1-(1,3-benzothiazol-2-yl)-5-(diethylamino)-1,5-dioxo-2-pentanyl]amino}-4-methyl-1-oxo-2-pentanyl)amino]-3-methyl-1-oxo-2-butanyl}carbamat [German] [ACD/IUPAC Name]
Leucinamide, N-[(phenylmethoxy)carbonyl]valyl-N-[1-(2-benzothiazolylcarbonyl)-4-(diethylamino)-4-oxobutyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.572
Molar Refractivity: 183.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1776.16
ACD/KOC (pH 5.5): 7371.85
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1775.33
ACD/KOC (pH 7.4): 7368.41
Polar Surface Area: 175 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 559.0±3.0 cm3

Click to predict properties on the Chemicalize site


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