N-benzyl-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methylbutanamide
Chemical Structure Depiction of
N-benzyl-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methylbutanamide
N-benzyl-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methylbutanamide
Compound characteristics
| Compound ID: | V016-7117 |
| Compound Name: | N-benzyl-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methylbutanamide |
| Molecular Weight: | 520.07 |
| Molecular Formula: | C29 H34 Cl N5 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CC(N(CC(N1CCCN(CC1)c1ccc(c2ccccc2[Cl])nn1)=O)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.572 |
| logD: | 4.5659 |
| logSw: | -4.6043 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.841 |
| InChI Key: | KBKPXFWEJMDRDW-UHFFFAOYSA-N |