ChemSpider 2D Image | (3S)-N-(3-Benzoylphenyl)-3-(3-pyridinyl)-1H-pyrrolo[1,2-c][1,3]thiazole-7-carboxamide | C25H19N3O2S

(3S)-N-(3-Benzoylphenyl)-3-(3-pyridinyl)-1H-pyrrolo[1,2-c][1,3]thiazole-7-carboxamide

  • Molecular FormulaC25H19N3O2S
  • Average mass425.502 Da
  • Monoisotopic mass425.119812 Da
  • ChemSpider ID32796909
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-N-(3-Benzoylphenyl)-3-(3-pyridinyl)-1H-pyrrolo[1,2-c][1,3]thiazol-7-carboxamid [German] [ACD/IUPAC Name]
(3S)-N-(3-Benzoylphenyl)-3-(3-pyridinyl)-1H-pyrrolo[1,2-c][1,3]thiazole-7-carboxamide [ACD/IUPAC Name]
(3S)-N-(3-Benzoylphényl)-3-(3-pyridinyl)-1H-pyrrolo[1,2-c][1,3]thiazole-7-carboxamide [French] [ACD/IUPAC Name]
1H,3H-Pyrrolo[1,2-c]thiazole-7-carboxamide, N-(3-benzoylphenyl)-3-(3-pyridinyl)-, (3S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 613.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 324.7±31.5 °C
Index of Refraction: 1.703
Molar Refractivity: 124.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 871.64
ACD/KOC (pH 5.5): 4406.43
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 887.17
ACD/KOC (pH 7.4): 4484.94
Polar Surface Area: 89 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 321.4±7.0 cm3

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