ChemSpider 2D Image | 3-Amino-3-methyl-N-(3-oxo-4-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-3,4-dihydro-2H-1,4-benzothiazin-2-yl)butanamide | C27H27N7O2S

3-Amino-3-methyl-N-(3-oxo-4-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-3,4-dihydro-2H-1,4-benzothiazin-2-yl)butanamide

  • Molecular FormulaC27H27N7O2S
  • Average mass513.614 Da
  • Monoisotopic mass513.194702 Da
  • ChemSpider ID14323246

More details:

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

3-Amino-3-methyl-N-(3-oxo-4-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-3,4-dihydro-2H-1,4-benzothiazin-2-yl)butanamid [German] [ACD/IUPAC Name]
3-Amino-3-methyl-N-(3-oxo-4-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-3,4-dihydro-2H-1,4-benzothiazin-2-yl)butanamide [ACD/IUPAC Name]
3-Amino-3-méthyl-N-(3-oxo-4-{[2'-(1H-tétrazol-5-yl)-4-biphénylyl]méthyl}-3,4-dihydro-2H-1,4-benzothiazin-2-yl)butanamide [French] [ACD/IUPAC Name]
3-amino-3-methyl-N-(3-oxo-4-{[2'-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-2H-1,4-benzothiazin-2-yl)butanamide
Butanamide, 3-amino-N-[3,4-dihydro-3-oxo-4-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-2H-1,4-benzothiazin-2-yl]-3-methyl- [ACD/Index Name]
3-Amino-3-methyl-N-{3-oxo-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3,4-dihydro-2H-benzo[1,4]thiazin-2-yl}-butyramide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL281585/

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: 1.715
Molar Refractivity: 142.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.11
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.12
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.25
Polar Surface Area: 155 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 84.5±5.0 dyne/cm
Molar Volume: 362.9±5.0 cm3

Click to predict properties on the Chemicalize site


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