ChemSpider 2D Image | Ro-244736 | C31H20ClN5OS

Ro-244736

  • Molecular FormulaC31H20ClN5OS
  • Average mass546.041 Da
  • Monoisotopic mass545.107727 Da
  • ChemSpider ID54772

More details:

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

5-(3-(4-(2-chlorophenyl)-9-methyl-6h-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-2-propynyl)phenanthridin-6(5h)-one
5-{3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-2-propyn-1-yl}-6(5H)-phenanthridinone [ACD/IUPAC Name]
5-{3-[4-(2-Chlorophényl)-9-méthyl-6H-thiéno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazépin-2-yl]-2-propyn-1-yl}-6(5H)-phénanthridinone [French] [ACD/IUPAC Name]
5-{3-[4-(2-Chlorphenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-2-propin-1-yl}-6(5H)-phenanthridinon [German] [ACD/IUPAC Name]
6(5H)-Phenanthridinone, 5-(3-(4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-2-propynyl)-
6(5H)-Phenanthridinone, 5-[3-[4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-2-propyn-1-yl]- [ACD/Index Name]
Ro-244736
125030-71-9 [RN]
5-(3-(4-(2-CHLOROPHENYL)-9-METHYL-6H-THIENO(3,2-F)(1,2,4)TRIAZOLO(4,3-A)(1, 4)-D
5-[3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]prop-2-ynyl]phenanthridin-6-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 819.6±75.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 119.1±3.0 kJ/mol
    Flash Point: 449.5±37.1 °C
    Index of Refraction: 1.750
    Molar Refractivity: 157.7±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 5.02
    ACD/LogD (pH 5.5): 4.89
    ACD/BCF (pH 5.5): 3060.92
    ACD/KOC (pH 5.5): 10880.51
    ACD/LogD (pH 7.4): 4.89
    ACD/BCF (pH 7.4): 3063.80
    ACD/KOC (pH 7.4): 10890.76
    Polar Surface Area: 92 Å2
    Polarizability: 62.5±0.5 10-24cm3
    Surface Tension: 58.7±7.0 dyne/cm
    Molar Volume: 387.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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