ChemSpider 2D Image | 1,3-Thiazol-5-ylmethyl [(2R)-1-{[(6-methoxy-2-naphthyl)methyl][(2S)-3-phenyl-2-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}propyl]amino}-3-phenyl-2-propanyl]carbamate | C40H41N5O5S2

1,3-Thiazol-5-ylmethyl [(2R)-1-{[(6-methoxy-2-naphthyl)methyl][(2S)-3-phenyl-2-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}propyl]amino}-3-phenyl-2-propanyl]carbamate

  • Molecular FormulaC40H41N5O5S2
  • Average mass735.914 Da
  • Monoisotopic mass735.254883 Da
  • ChemSpider ID10030808
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

[(2R)-1-{[(6-Méthoxy-2-naphtyl)méthyl][(2S)-3-phényl-2-{[(1,3-thiazol-5-ylméthoxy)carbonyl]amino}propyl]amino}-3-phényl-2-propanyl]carbamate de 1,3-thiazol-5-ylméthyle [French] [ACD/IUPAC Name]
1,3-Thiazol-5-ylmethyl [(2R)-1-{[(6-methoxy-2-naphthyl)methyl][(2S)-3-phenyl-2-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}propyl]amino}-3-phenyl-2-propanyl]carbamate [ACD/IUPAC Name]
1,3-Thiazol-5-ylmethyl-[(2R)-1-{[(6-methoxy-2-naphthyl)methyl][(2S)-3-phenyl-2-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}propyl]amino}-3-phenyl-2-propanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R)-2-[[(6-methoxy-2-naphthalenyl)methyl][(2S)-3-phenyl-2-[[(5-thiazolylmethoxy)carbonyl]amino]propyl]amino]-1-(phenylmethyl)ethyl]-, 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: 908.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.2±3.0 kJ/mol
Flash Point: 503.4±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 207.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 7.84
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 1044.65
ACD/KOC (pH 5.5): 1359.94
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 44505.79
ACD/KOC (pH 7.4): 57938.04
Polar Surface Area: 171 Å2
Polarizability: 82.2±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 569.7±3.0 cm3

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