ChemSpider 2D Image | N-[(2S)-1-({2-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenyl-2-propanyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxamide | C27H24ClN7O3S

N-[(2S)-1-({2-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenyl-2-propanyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxamide

  • Molecular FormulaC27H24ClN7O3S
  • Average mass562.043 Da
  • Monoisotopic mass561.135010 Da
  • ChemSpider ID35034166
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2H-1,4-Benzothiazine-7-carboxamide, N-[(1S)-2-[[2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]ethyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-3,4-dihydro-3-oxo- [ACD/Index Name]
N-[(2S)-1-({2-[5-Chlor-2-(1H-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenyl-2-propanyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-7-carboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-({2-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenyl-2-propanyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-({2-[5-Chloro-2-(1H-tétrazol-1-yl)phényl]éthyl}amino)-1-oxo-3-phényl-2-propanyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxamide [French] [ACD/IUPAC Name]
N-[(2s)-1-({2-[5-Chloro-2-(1h-Tetrazol-1-Yl)phenyl]ethyl}amino)-1-Oxo-3-Phenylpropan-2-Yl]-3-Oxo-3,4-Dihydro-2h-1,4-Benzothiazine-7-Carboxamide
O61

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.732
Molar Refractivity: 151.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 144.06
ACD/KOC (pH 5.5): 1220.17
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 144.06
ACD/KOC (pH 7.4): 1220.17
Polar Surface Area: 156 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 64.0±7.0 dyne/cm
Molar Volume: 378.7±7.0 cm3

Click to predict properties on the Chemicalize site





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