2-(4-methoxyphenyl)-N-(6-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}pyridin-3-yl)acetamide
Chemical Structure Depiction of
2-(4-methoxyphenyl)-N-(6-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}pyridin-3-yl)acetamide
2-(4-methoxyphenyl)-N-(6-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}pyridin-3-yl)acetamide
Compound characteristics
| Compound ID: | V021-5599 |
| Compound Name: | 2-(4-methoxyphenyl)-N-(6-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}pyridin-3-yl)acetamide |
| Molecular Weight: | 512.53 |
| Molecular Formula: | C27 H27 F3 N4 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc(CC(Nc2ccc(nc2)N2CCCN(CC2)C(c2ccc(cc2)C(F)(F)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6831 |
| logD: | 4.6817 |
| logSw: | -4.2628 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.501 |
| InChI Key: | PSHSOBGLSPPHFS-UHFFFAOYSA-N |