N-{6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-4-methoxybenzamide
Chemical Structure Depiction of
N-{6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-4-methoxybenzamide
N-{6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-4-methoxybenzamide
Compound characteristics
| Compound ID: | V012-7125 |
| Compound Name: | N-{6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-4-methoxybenzamide |
| Molecular Weight: | 509.4 |
| Molecular Formula: | C25 H25 Br N4 O3 |
| Smiles: | COc1ccc(cc1)C(Nc1ccc(nc1)N1CCCN(CC1)C(c1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6864 |
| logD: | 4.686 |
| logSw: | -4.3209 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.714 |
| InChI Key: | RVLNDUVFOJHZRJ-UHFFFAOYSA-N |