ChemSpider 2D Image | TULOPAFANT | C25H19N3O2S

TULOPAFANT

  • Molecular FormulaC25H19N3O2S
  • Average mass425.502 Da
  • Monoisotopic mass425.119812 Da
  • ChemSpider ID23226990

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-N-(3-Benzoylphenyl)-3-(3-pyridinyl)-1H-pyrrolo[1,2-c][1,3]thiazol-7-carboxamid [German] [ACD/IUPAC Name]
(3R)-N-(3-Benzoylphenyl)-3-(3-pyridinyl)-1H-pyrrolo[1,2-c][1,3]thiazole-7-carboxamide [ACD/IUPAC Name]
(3R)-N-(3-Benzoylphényl)-3-(3-pyridinyl)-1H-pyrrolo[1,2-c][1,3]thiazole-7-carboxamide [French] [ACD/IUPAC Name]
(3R)-N-(3-benzoylphenyl)-3-(pyridin-3-yl)-1H-pyrrolo[1,2-c][1,3]thiazole-7-carboxamide
116289-53-3 [RN]
1H,3H-Pyrrolo[1,2-c]thiazole-7-carboxamide, N-(3-benzoylphenyl)-3-(3-pyridinyl)-, (3R)- [ACD/Index Name]
IQ3Q8N1287
TULOPAFANT [INN]
(R)-3-Pyridin-3-yl-1H-pyrrolo[1,2-c]thiazole-7-carboxylic acid (3-benzoyl-phenyl)-amide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL349811/
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6674 [DBID]
RP-59227 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    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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