ChemSpider 2D Image | N-{(1S)-1-Cyclohexyl-2-[(2S)-2-{4-[4-(methylsulfonyl)-1-naphthyl]-1,3-thiazol-2-yl}-1-pyrrolidinyl]-2-oxoethyl}-N~2~-methyl-L-alaninamide | C30H38N4O4S2

N-{(1S)-1-Cyclohexyl-2-[(2S)-2-{4-[4-(methylsulfonyl)-1-naphthyl]-1,3-thiazol-2-yl}-1-pyrrolidinyl]-2-oxoethyl}-N2-methyl-L-alaninamide

  • Molecular FormulaC30H38N4O4S2
  • Average mass582.777 Da
  • Monoisotopic mass582.233459 Da
  • ChemSpider ID9839012

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

N-{(1S)-1-Cyclohexyl-2-[(2S)-2-{4-[4-(methylsulfonyl)-1-naphthyl]-1,3-thiazol-2-yl}-1-pyrrolidinyl]-2-oxoethyl}-N2-methyl-L-alaninamid [German] [ACD/IUPAC Name]
N-{(1S)-1-Cyclohexyl-2-[(2S)-2-{4-[4-(methylsulfonyl)-1-naphthyl]-1,3-thiazol-2-yl}-1-pyrrolidinyl]-2-oxoethyl}-N2-methyl-L-alaninamide [ACD/IUPAC Name]
N-{(1S)-1-Cyclohexyl-2-[(2S)-2-{4-[4-(méthylsulfonyl)-1-naphtyl]-1,3-thiazol-2-yl}-1-pyrrolidinyl]-2-oxoéthyl}-N2-méthyl-L-alaninamide [French] [ACD/IUPAC Name]
Propanamide, N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-[4-(methylsulfonyl)-1-naphthalenyl]-2-thiazolyl]-1-pyrrolidinyl]-2-oxoethyl]-2-(methylamino)-, (2S)- [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: 826.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 453.5±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 159.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 1.55
ACD/KOC (pH 5.5): 10.58
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 78.19
ACD/KOC (pH 7.4): 532.92
Polar Surface Area: 145 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 460.8±3.0 cm3

Click to predict properties on the Chemicalize site


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