ChemSpider 2D Image | 2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide | C18H18N4O2S

2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide

  • Molecular FormulaC18H18N4O2S
  • Average mass354.426 Da
  • Monoisotopic mass354.115051 Da
  • ChemSpider ID29410251

More details:






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

2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-carboxamid [German] [ACD/IUPAC Name]
2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide [ACD/IUPAC Name]
2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-4,5-dihydrothiéno[3,2-d][1]benzoxépine-8-carboxamide [French] [ACD/IUPAC Name]
2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-4,5-dihydrothieno[3,2-D][1]benzoxepine-8-carboxamide
Thieno[3,2-d][1]benzoxepin-8-carboxamide, 4,5-dihydro-2-[1-(1-methylethyl)-1H-1,2,4-triazol-5-yl]- [ACD/Index Name]
10.1016/j.bmcl.2013.02.102

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

Density: 1.5±0.1 g/cm3
Boiling Point: 637.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.5±34.3 °C
Index of Refraction: 1.735
Molar Refractivity: 97.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.54
ACD/KOC (pH 5.5): 501.17
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.58
ACD/KOC (pH 7.4): 501.62
Polar Surface Area: 111 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 241.8±7.0 cm3

Click to predict properties on the Chemicalize site






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