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Search term: FBTWWPKAGBUCIB (Found by InChIKey (skeleton match))

ChemSpider 2D Image | N~3~-(Ethylcarbamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-beta-alaninamide | C14H18N4O2S

N3-(Ethylcarbamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-β-alaninamide

  • Molecular FormulaC14H18N4O2S
  • Average mass306.383 Da
  • Monoisotopic mass306.115051 Da
  • ChemSpider ID28522280

More details:






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

N3-(Ethylcarbamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-β-alaninamid [German] [ACD/IUPAC Name]
N3-(Ethylcarbamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-β-alaninamide [ACD/IUPAC Name]
N3-(Éthylcarbamoyl)-N-(2-méthyl-1,3-benzothiazol-6-yl)-β-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 3-[[(ethylamino)carbonyl]amino]-N-(2-methyl-6-benzothiazolyl)- [ACD/Index Name]
88W
LDHA Inhibitor, 24

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

Density: 1.3±0.1 g/cm3
Boiling Point: 627.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.3±25.9 °C
Index of Refraction: 1.642
Molar Refractivity: 85.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.59
ACD/KOC (pH 5.5): 119.24
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.59
ACD/KOC (pH 7.4): 119.27
Polar Surface Area: 111 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 236.4±3.0 cm3

Click to predict properties on the Chemicalize site






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