ChemSpider 2D Image | N-{1-[3-(2-{[(1E,3Z)-1,4-Diamino-8-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}-1,3-octadien-1-yl]amino}-2-oxoethyl)phenyl]ethyl}propanamide | C31H39N7O3S

N-{1-[3-(2-{[(1E,3Z)-1,4-Diamino-8-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}-1,3-octadien-1-yl]amino}-2-oxoethyl)phenyl]ethyl}propanamide

  • Molecular FormulaC31H39N7O3S
  • Average mass589.752 Da
  • Monoisotopic mass589.283508 Da
  • ChemSpider ID129046586

More details:

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

Benzeneacetamide, N-[(1E,3Z)-1,4-diamino-8-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-1,3-octadien-1-yl]-3-[1-[(1-oxopropyl)amino]ethyl]- [ACD/Index Name]
N-{1-[3-(2-{[(1E,3Z)-1,4-Diamino-8-{5-[(2-phénylacétyl)amino]-1,3,4-thiadiazol-2-yl}-1,3-octadién-1-yl]amino}-2-oxoéthyl)phényl]éthyl}propanamide [French] [ACD/IUPAC Name]
N-{1-[3-(2-{[(1E,3Z)-1,4-Diamino-8-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}-1,3-octadien-1-yl]amino}-2-oxoethyl)phenyl]ethyl}propanamid [German] [ACD/IUPAC Name]
N-{1-[3-(2-{[(1E,3Z)-1,4-Diamino-8-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}-1,3-octadien-1-yl]amino}-2-oxoethyl)phenyl]ethyl}propanamide [ACD/IUPAC 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: 1.628
Molar Refractivity: 168.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 5.45
ACD/KOC (pH 5.5): 69.61
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.49
ACD/KOC (pH 7.4): 402.34
Polar Surface Area: 193 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 473.9±3.0 cm3

Click to predict properties on the Chemicalize site


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