Found 160 results

Search term: MF = 'C_{31}H_{33}ClN_{4}O_{5}'
ChemSpider 2D Image | N-{4-[(3-Chlorophenyl)amino]-6-quinazolinyl}dispiro[cyclohexane-1,3'-[1,2,4,5]tetroxane-6',2''-tricyclo[3.3.1.1~3,7~]decane]-4-carboxamide | C31H33ClN4O5

N-{4-[(3-Chlorophenyl)amino]-6-quinazolinyl}dispiro[cyclohexane-1,3'-[1,2,4,5]tetroxane-6',2''-tricyclo[3.3.1.13,7]decane]-4-carboxamide

  • Molecular FormulaC31H33ClN4O5
  • Average mass577.070 Da
  • Monoisotopic mass576.213928 Da
  • ChemSpider ID76807328

More details:

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

Dispiro[cyclohexane-1,3'-[1,2,4,5]tetroxane-6',2''-tricyclo[3.3.1.13,7]decane]-4-carboxamide, N-[4-[(3-chlorophenyl)amino]-6-quinazolinyl]- [ACD/Index Name]
N-{4-[(3-Chlorophenyl)amino]-6-quinazolinyl}dispiro[cyclohexane-1,3'-[1,2,4,5]tetroxane-6',2''-tricyclo[3.3.1.13,7]decane]-4-carboxamide [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.684
Molar Refractivity: 152.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 11591.33
ACD/KOC (pH 5.5): 24372.20
ACD/LogD (pH 7.4): 5.94
ACD/BCF (pH 7.4): 19271.62
ACD/KOC (pH 7.4): 40520.97
Polar Surface Area: 104 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 401.1±5.0 cm3

Click to predict properties on the Chemicalize site


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