ChemSpider 2D Image | N-[(1S)-1-Cyclohexyl-2-{(2S)-2-[4-(1-naphthyl)-1,3-thiazol-2-yl]-1-pyrrolidinyl}-2-oxoethyl]-N~2~-methyl-L-alaninamide | C29H36N4O2S

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

  • Molecular FormulaC29H36N4O2S
  • Average mass504.687 Da
  • Monoisotopic mass504.255890 Da
  • ChemSpider ID24670318

  • 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-(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-(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-(1-naphtyl)-1,3-thiazol-2-yl]-1-pyrrolidinyl}-2-oxoéthyl]-N2-méthyl-L-alaninamide [French] [ACD/IUPAC Name]
N-{(1s)-1-Cyclohexyl-2-[(2s)-2-(4-Naphthalen-1-Yl-1,3-Thiazol-2-Yl)pyrrolidin-1-Yl]-2-Oxoethyl}-N2-Methyl-L-Alaninamide
Propanamide, N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(1-naphthalenyl)-2-thiazolyl]-1-pyrrolidinyl]-2-oxoethyl]-2-(methylamino)-, (2S)- [ACD/Index Name]

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

516 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 732.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 397.0±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 145.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 11.22
ACD/KOC (pH 5.5): 43.56
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 565.80
ACD/KOC (pH 7.4): 2197.28
Polar Surface Area: 103 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 419.0±3.0 cm3

Click to predict properties on the Chemicalize site


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