N-benzyl-4-chloro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide
Chemical Structure Depiction of
N-benzyl-4-chloro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide
N-benzyl-4-chloro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide
Compound characteristics
| Compound ID: | V008-0732 |
| Compound Name: | N-benzyl-4-chloro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide |
| Molecular Weight: | 558.06 |
| Molecular Formula: | C31 H29 Cl F N5 O2 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(c2ccc(cc2)F)nn1)C(CN(Cc1ccccc1)C(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9485 |
| logD: | 4.9466 |
| logSw: | -5.3076 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.097 |
| InChI Key: | QHJVUXPNEIQZBG-UHFFFAOYSA-N |