N-{6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-phenylbutanamide
Chemical Structure Depiction of
N-{6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-phenylbutanamide
N-{6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-phenylbutanamide
Compound characteristics
| Compound ID: | V023-9601 |
| Compound Name: | N-{6-[4-(4-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(c1ccc(cc1)[Cl])=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.401 |
| logD: | 5.4003 |
| logSw: | -6.0786 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.17 |
| InChI Key: | WKIGYSLJPLNEKR-XMMPIXPASA-N |