ChemSpider 2D Image | 1,3-Thiazol-5-ylmethyl (5-{[(2E)-2-({ethyl[(2-isopropyl-1,3-thiazol-4-yl)methyl]carbamoyl}imino)-1-hydroxypropyl]amino}-3-hydroxy-1,6-diphenyl-2-hexanyl)carbamate | C36H46N6O5S2

1,3-Thiazol-5-ylmethyl (5-{[(2E)-2-({ethyl[(2-isopropyl-1,3-thiazol-4-yl)methyl]carbamoyl}imino)-1-hydroxypropyl]amino}-3-hydroxy-1,6-diphenyl-2-hexanyl)carbamate

  • Molecular FormulaC36H46N6O5S2
  • Average mass706.918 Da
  • Monoisotopic mass706.297119 Da
  • ChemSpider ID95637864

More details:

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

(5-{[(2E)-2-({Éthyl[(2-isopropyl-1,3-thiazol-4-yl)méthyl]carbamoyl}imino)-1-hydroxypropyl]amino}-3-hydroxy-1,6-diphényl-2-hexanyl)carbamate de 1,3-thiazol-5-ylméthyle [French] [ACD/IUPAC Name]
1,3-Thiazol-5-ylmethyl (5-{[(2E)-2-({ethyl[(2-isopropyl-1,3-thiazol-4-yl)methyl]carbamoyl}imino)-1-hydroxypropyl]amino}-3-hydroxy-1,6-diphenyl-2-hexanyl)carbamate [ACD/IUPAC Name]
1,3-Thiazol-5-ylmethyl-(5-{[(2E)-2-({ethyl[(2-isopropyl-1,3-thiazol-4-yl)methyl]carbamoyl}imino)-1-hydroxypropyl]amino}-3-hydroxy-1,6-diphenyl-2-hexanyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[4-[[(2E)-2-[[[ethyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]imino]-1-hydroxypropyl]amino]-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester [ACD/Index Name]

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: 1.633
Molar Refractivity: 197.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 905.80
ACD/KOC (pH 5.5): 4490.15
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 947.87
ACD/KOC (pH 7.4): 4698.67
Polar Surface Area: 206 Å2
Polarizability: 78.2±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 552.1±7.0 cm3

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