N-(6-{4-[(2,4-difluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-methoxybenzamide
Chemical Structure Depiction of
N-(6-{4-[(2,4-difluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-methoxybenzamide
N-(6-{4-[(2,4-difluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-methoxybenzamide
Compound characteristics
| Compound ID: | V013-0173 |
| Compound Name: | N-(6-{4-[(2,4-difluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-methoxybenzamide |
| Molecular Weight: | 452.5 |
| Molecular Formula: | C25 H26 F2 N4 O2 |
| Salt: | not_available |
| Smiles: | COc1ccccc1C(Nc1ccc(nc1)N1CCCN(CC1)Cc1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.629 |
| logD: | 4.588 |
| logSw: | -4.2801 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.885 |
| InChI Key: | JWIWHXNTOXMDCT-UHFFFAOYSA-N |