N-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-phenylbutanamide
Chemical Structure Depiction of
N-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-phenylbutanamide
N-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-phenylbutanamide
Compound characteristics
| Compound ID: | V021-9469 |
| Compound Name: | N-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-phenylbutanamide |
| Molecular Weight: | 477.01 |
| Molecular Formula: | C27 H29 Cl N4 O2 |
| Salt: | not_available |
| Smiles: | CCC(C(Nc1ccc(nc1)N1CCCN(CC1)C(c1cccc(c1)[Cl])=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.385 |
| logD: | 5.3843 |
| logSw: | -5.923 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.17 |
| InChI Key: | KBKGPNLHVNKPCW-XMMPIXPASA-N |