N-butyl-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide
Chemical Structure Depiction of
N-butyl-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide
N-butyl-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide
Compound characteristics
| Compound ID: | V009-2814 |
| Compound Name: | N-butyl-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide |
| Molecular Weight: | 506.05 |
| Molecular Formula: | C28 H32 Cl N5 O2 |
| Salt: | not_available |
| Smiles: | CCCCN(CC(N1CCCN(CC1)c1ccc(c2ccccc2[Cl])nn1)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4253 |
| logD: | 4.4192 |
| logSw: | -4.6064 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.347 |
| InChI Key: | KNABSAXIGBPQNG-UHFFFAOYSA-N |