ChemSpider 2D Image | N-(2-Furylmethyl)-2-[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]hydrazinecarbothioamide | C30H31N5O3S

N-(2-Furylmethyl)-2-[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]hydrazinecarbothioamide

  • Molecular FormulaC30H31N5O3S
  • Average mass541.664 Da
  • Monoisotopic mass541.214783 Da
  • ChemSpider ID1172276

More details:

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

Hydrazinecarbothioamide, 2-[4,6-dihydro-3-(4-methoxyphenyl)-4-oxospiro[benzo[h]quinazoline-5(3H),1'-cyclohexan]-2-yl]-N-(2-furanylmethyl)- [ACD/Index Name]
N-(2-Furylmethyl)-2-[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]hydrazinecarbothioamide [ACD/IUPAC Name]
1-(furan-2-ylmethyl)-3-[[3-(4-methoxyphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]amino]thiourea
375835-35-1 [RN]
AC1LQV2G
AGN-PC-0K4UGW
AKOS005465019
MCULE-6977884981
MolPort-000-696-640
N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]hydrazinecarbothioamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZINC01288498 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 712.6±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.2±3.0 kJ/mol
    Flash Point: 384.8±35.7 °C
    Index of Refraction: 1.698
    Molar Refractivity: 153.0±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 6.35
    ACD/LogD (pH 5.5): 5.64
    ACD/BCF (pH 5.5): 11438.70
    ACD/KOC (pH 5.5): 27818.73
    ACD/LogD (pH 7.4): 5.61
    ACD/BCF (pH 7.4): 10535.94
    ACD/KOC (pH 7.4): 25623.22
    Polar Surface Area: 123 Å2
    Polarizability: 60.7±0.5 10-24cm3
    Surface Tension: 54.3±7.0 dyne/cm
    Molar Volume: 396.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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