ChemSpider 2D Image | 1-{(2S)-2-Cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-(4-phenyl-1,2,3-thiadiazol-5-yl)-D-prolinamide | C25H34N6O3S

1-{(2S)-2-Cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-(4-phenyl-1,2,3-thiadiazol-5-yl)-D-prolinamide

  • Molecular FormulaC25H34N6O3S
  • Average mass498.641 Da
  • Monoisotopic mass498.241302 Da
  • ChemSpider ID35293887

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-{(2S)-2-Cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-(4-phenyl-1,2,3-thiadiazol-5-yl)-D-prolinamid [German] [ACD/IUPAC Name]
1-{(2S)-2-Cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-(4-phenyl-1,2,3-thiadiazol-5-yl)-D-prolinamide [ACD/IUPAC Name]
1-{(2S)-2-Cyclohexyl-2-[(N-méthyl-L-alanyl)amino]acétyl}-N-(4-phényl-1,2,3-thiadiazol-5-yl)-D-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]acetyl]-N-(4-phenyl-1,2,3-thiadiazol-5-yl)-, (2R)- [ACD/Index Name]
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide
[873652-48-3] [RN]
873652-48-3 [RN]
873652-48-3 (free base)
GDC-0152
MFCD25976621

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: 1.606
Molar Refractivity: 135.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.22
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 3.79
ACD/KOC (pH 7.4): 61.23
Polar Surface Area: 145 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 392.5±3.0 cm3

Click to predict properties on the Chemicalize site


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