ChemSpider 2D Image | N-{(1S)-1-[4-Allyl-5-({2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-2-thiophenecarboxamide | C24H24N6O2S3

N-{(1S)-1-[4-Allyl-5-({2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-2-thiophenecarboxamide

  • Molecular FormulaC24H24N6O2S3
  • Average mass524.681 Da
  • Monoisotopic mass524.112305 Da
  • ChemSpider ID1653409
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-Thiophenecarboxamide, N-[(1S)-1-[5-[[2-[(5-methyl-4-phenyl-2-thiazolyl)amino]-2-oxoethyl]thio]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]ethyl]- [ACD/Index Name]
N-{(1S)-1-[4-Allyl-5-({2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-{(1S)-1-[4-Allyl-5-({2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-2-thiophenecarboxamide [ACD/IUPAC Name]
N-{(1S)-1-[4-Allyl-5-({2-[(5-méthyl-4-phényl-1,3-thiazol-2-yl)amino]-2-oxoéthyl}sulfanyl)-4H-1,2,4-triazol-3-yl]éthyl}-2-thiophènecarboxamide [French] [ACD/IUPAC Name]

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

ZINC02859271 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.713
Molar Refractivity: 146.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 960.36
ACD/KOC (pH 5.5): 4727.54
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 462.97
ACD/KOC (pH 7.4): 2279.08
Polar Surface Area: 184 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 57.8±7.0 dyne/cm
Molar Volume: 374.2±7.0 cm3

Click to predict properties on the Chemicalize site






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