ChemSpider 2D Image | N~2~-{[(2-Isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-N-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-L-valinamide | C23H36N6O4S2

N2-{[(2-Isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-N-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-L-valinamide

  • Molecular FormulaC23H36N6O4S2
  • Average mass524.700 Da
  • Monoisotopic mass524.223938 Da
  • ChemSpider ID31141545
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Carbamic acid, N-[4-[[(2S)-3-methyl-2-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-1-oxobutyl]amino]butyl]-, 5-thiazolylmethyl ester [ACD/Index Name]
N2-(Methyl{[2-(Propan-2-Yl)-1,3-Thiazol-4-Yl]methyl}carbamoyl)-N-(4-{[(1,3-Thiazol-5-Ylmethoxy)carbonyl]amino}butyl)-L-Valinamide
N2-{[(2-Isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-N-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-L-valinamid [German] [ACD/IUPAC Name]
N2-{[(2-Isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-N-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-L-valinamide [ACD/IUPAC Name]
N2-{[(2-Isopropyl-1,3-thiazol-4-yl)méthyl](méthyl)carbamoyl}-N-(4-{[(1,3-thiazol-5-ylméthoxy)carbonyl]amino}butyl)-L-valinamide [French] [ACD/IUPAC Name]
1RD

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 788.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 430.8±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 139.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.81
ACD/KOC (pH 5.5): 315.82
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 21.84
ACD/KOC (pH 7.4): 316.24
Polar Surface Area: 182 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 428.7±3.0 cm3

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