ChemSpider 2D Image | 1-[(4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl)amino]-N-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-3-methyl-1-oxo-2-butanaminium | C37H49N6O5S2

1-[(4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl)amino]-N-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-3-methyl-1-oxo-2-butanaminium

  • Molecular FormulaC37H49N6O5S2
  • Average mass721.952 Da
  • Monoisotopic mass721.320007 Da
  • ChemSpider ID21234155

  • Charge - Charge

More details:

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

1-[(4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl)amino]-N-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-3-methyl-1-oxo-2-butanaminium [ACD/IUPAC Name]
1-[(4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl)amino]-N-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-3-methyl-1-oxo-2-butanaminium [German] [ACD/IUPAC Name]
1-[(4-Hydroxy-1,6-diphényl-5-{[(1,3-thiazol-5-ylméthoxy)carbonyl]amino}-2-hexanyl)amino]-N-{[(2-isopropyl-1,3-thiazol-4-yl)méthyl](méthyl)carbamoyl}-3-méthyl-1-oxo-2-butanaminium [French] [ACD/IUPAC Name]
Carbamic acid, N-[2-hydroxy-4-[[3-methyl-2-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester, conjugate monoacid [ACD/Index Name]

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

Density:
Boiling Point: 894.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.2±3.0 kJ/mol
Flash Point: 494.9±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 6.75
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 6.33
ACD/KOC (pH 5.5): 24.62
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 3.94
ACD/KOC (pH 7.4): 15.32
Polar Surface Area: 214 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement