ChemSpider 2D Image | (4R)-1-{(2S)-3,3-Dimethyl-2-[4-({methyl[(4-methylphenyl)sulfonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]butanoyl}-4-hydroxy-N-methyl-L-prolinamide | C23H34N6O5S

(4R)-1-{(2S)-3,3-Dimethyl-2-[4-({methyl[(4-methylphenyl)sulfonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]butanoyl}-4-hydroxy-N-methyl-L-prolinamide

  • Molecular FormulaC23H34N6O5S
  • Average mass506.618 Da
  • Monoisotopic mass506.231140 Da
  • ChemSpider ID84496161

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R)-1-{(2S)-3,3-Dimethyl-2-[4-({methyl[(4-methylphenyl)sulfonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]butanoyl}-4-hydroxy-N-methyl-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-1-{(2S)-3,3-Dimethyl-2-[4-({methyl[(4-methylphenyl)sulfonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]butanoyl}-4-hydroxy-N-methyl-L-prolinamide [ACD/IUPAC Name]
(4R)-1-{(2S)-3,3-Diméthyl-2-[4-({méthyl[(4-méthylphényl)sulfonyl]amino}méthyl)-1H-1,2,3-triazol-1-yl]butanoyl}-4-hydroxy-N-méthyl-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[(2S)-3,3-dimethyl-2-[4-[[methyl[(4-methylphenyl)sulfonyl]amino]methyl]-1H-1,2,3-triazol-1-yl]-1-oxobutyl]-4-hydroxy-N-methyl-, (2S,4R)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 133.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.31
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.96
ACD/KOC (pH 5.5): 93.29
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 3.96
ACD/KOC (pH 7.4): 93.30
Polar Surface Area: 146 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 375.6±7.0 cm3

Click to predict properties on the Chemicalize site


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