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

N-[1-(3-{2-[(4-Imino-8-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}octanimidoyl)amino]-2-oxoethyl}phenyl)ethyl]propanamide

  • Molecular FormulaC31H39N7O3S
  • Average mass589.752 Da
  • Monoisotopic mass589.283508 Da
  • ChemSpider ID34959598

More details:

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

Benzeneacetamide, N-[1,4-diimino-8-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]octyl]-3-[1-[(1-oxopropyl)amino]ethyl]- [ACD/Index Name]
N-[1-(3-{2-[(4-Imino-8-{5-[(2-phénylacétyl)amino]-1,3,4-thiadiazol-2-yl}octanimidoyl)amino]-2-oxoéthyl}phényl)éthyl]propanamide [French] [ACD/IUPAC Name]
N-[1-(3-{2-[(4-Imino-8-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}octanimidoyl)amino]-2-oxoethyl}phenyl)ethyl]propanamid [German] [ACD/IUPAC Name]
N-[1-(3-{2-[(4-Imino-8-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}octanimidoyl)amino]-2-oxoethyl}phenyl)ethyl]propanamide [ACD/IUPAC Name]
US8604016, 839

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: 1.634
Molar Refractivity: 166.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.53
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.66
Polar Surface Area: 189 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 466.9±7.0 cm3

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