ChemSpider 2D Image | 5-Methyl-3-[4-(4-{5-[(4S)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-1,3-benzoxazol-2(3H)-one | C24H32N6O3S

5-Methyl-3-[4-(4-{5-[(4S)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-1,3-benzoxazol-2(3H)-one

  • Molecular FormulaC24H32N6O3S
  • Average mass484.614 Da
  • Monoisotopic mass484.225647 Da
  • ChemSpider ID34949359

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

2(3H)-Benzoxazolone, 3-[4-[4-[5-[(4S)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]pentyl]-1H-1,2,3-triazol-1-yl]butyl]-5-methyl- [ACD/Index Name]
5-Methyl-3-[4-(4-{5-[(4S)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-1,3-benzoxazol-2(3H)-on [German] [ACD/IUPAC Name]
5-Methyl-3-[4-(4-{5-[(4S)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-1,3-benzoxazol-2(3H)-one [ACD/IUPAC Name]
5-Méthyl-3-[4-(4-{5-[(4S)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-1,3-benzoxazol-2(3H)-one [French] [ACD/IUPAC Name]
Biotin triazole, 14

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.724
Molar Refractivity: 131.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 314.40
ACD/KOC (pH 5.5): 2134.43
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 314.46
ACD/KOC (pH 7.4): 2134.81
Polar Surface Area: 127 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 61.4±7.0 dyne/cm
Molar Volume: 331.1±7.0 cm3

Click to predict properties on the Chemicalize site


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