N-{6-[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-methylbenzamide
Chemical Structure Depiction of
N-{6-[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-methylbenzamide
N-{6-[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-methylbenzamide
Compound characteristics
| Compound ID: | V013-8914 |
| Compound Name: | N-{6-[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-methylbenzamide |
| Molecular Weight: | 493.4 |
| Molecular Formula: | C25 H25 Br N4 O2 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)C(Nc1ccc(nc1)N1CCCN(CC1)C(c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1441 |
| logD: | 5.143 |
| logSw: | -4.8585 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.17 |
| InChI Key: | URHJLIQBBBLIQO-UHFFFAOYSA-N |