Found 103 results

Search term: MF = 'C_{30}H_{28}Cl_{2}N_{4}O'
ChemSpider 2D Image | {4-[5-(4-Chlorobenzyl)-6-methyl-2-phenyl-4-pyrimidinyl]-1,4-diazepan-1-yl}(4-chlorophenyl)methanone | C30H28Cl2N4O

{4-[5-(4-Chlorobenzyl)-6-methyl-2-phenyl-4-pyrimidinyl]-1,4-diazepan-1-yl}(4-chlorophenyl)methanone

  • Molecular FormulaC30H28Cl2N4O
  • Average mass531.476 Da
  • Monoisotopic mass530.164001 Da
  • ChemSpider ID22588594

More details:

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

{4-[5-(4-Chlorbenzyl)-6-methyl-2-phenyl-4-pyrimidinyl]-1,4-diazepan-1-yl}(4-chlorphenyl)methanon [German] [ACD/IUPAC Name]
{4-[5-(4-Chlorobenzyl)-6-methyl-2-phenyl-4-pyrimidinyl]-1,4-diazepan-1-yl}(4-chlorophenyl)methanone [ACD/IUPAC Name]
{4-[5-(4-Chlorobenzyl)-6-méthyl-2-phényl-4-pyrimidinyl]-1,4-diazépan-1-yl}(4-chlorophényl)méthanone [French] [ACD/IUPAC Name]
Methanone, (4-chlorophenyl)[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]hexahydro-1H-1,4-diazepin-1-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 643.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.1±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 149.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 539.18
ACD/KOC (pH 5.5): 782.26
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 18707.33
ACD/KOC (pH 7.4): 27140.96
Polar Surface Area: 49 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 418.8±3.0 cm3

Click to predict properties on the Chemicalize site


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