Found 26 results

Search term: MF = 'C_{29}H_{34}N_{6}O_{4}S_{2}'
ChemSpider 2D Image | (4R)-N-[(1S)-2,3-Dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-4-phenyl-3-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | C29H34N6O4S2

(4R)-N-[(1S)-2,3-Dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-4-phenyl-3-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

  • Molecular FormulaC29H34N6O4S2
  • Average mass594.748 Da
  • Monoisotopic mass594.208313 Da
  • ChemSpider ID449059

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4R)-N-[(1S)-2,3-Dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-4-phenyl-3-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}butanoyl]-5,5-dimethyl-1,3-thiazolidin-4-carboxamid [German] [ACD/IUPAC Name]
(4R)-N-[(1S)-2,3-Dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-4-phenyl-3-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide [ACD/IUPAC Name]
(4R)-N-[(1S)-2,3-Dihydro-1H-indén-1-yl]-3-[(2S,3S)-2-hydroxy-4-phényl-3-{[2-(1H-1,2,4-triazol-5-ylsulfanyl)acétyl]amino}butanoyl]-5,5-diméthyl-1,3-thiazolidine-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolidinecarboxamide, N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-1-oxo-4-phenyl-3-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]butyl]-5,5-dimethyl-, (4R)- [ACD/Index Name]
(4R)-N-[(1S)-2,3-Dihydro-1H-inden-1-yl]-3-((2S,3S)-2-hydroxy-4-phenyl-3-{[(1H-1,2,4-triazol-3-ylthio)acetyl]amino}butanoyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

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

AIDS190575 [DBID]
AIDS-190575 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.688
Molar Refractivity: 160.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 197.05
ACD/KOC (pH 5.5): 1526.57
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 191.24
ACD/KOC (pH 7.4): 1481.57
Polar Surface Area: 191 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 79.2±5.0 dyne/cm
Molar Volume: 419.8±5.0 cm3

Click to predict properties on the Chemicalize site


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