4-(4-butylcyclohexane-1-carbonyl)-7-chloro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Chemical Structure Depiction of
4-(4-butylcyclohexane-1-carbonyl)-7-chloro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
4-(4-butylcyclohexane-1-carbonyl)-7-chloro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Compound characteristics
Compound ID: | C076-0307 |
Compound Name: | 4-(4-butylcyclohexane-1-carbonyl)-7-chloro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one |
Molecular Weight: | 456.99 |
Molecular Formula: | C26 H30 Cl F N2 O2 |
Smiles: | CCCCC1CCC(CC1)C(N1CC(Nc2ccc(cc2C1c1ccc(cc1)F)[Cl])=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.8455 |
logD: | 6.8455 |
logSw: | -6.5523 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 41.218 |
InChI Key: | NUYWYKLBPRCKLV-HGEUABKPSA-N |