N-(6-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-3-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-(6-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-3-(trifluoromethyl)benzamide
N-(6-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V013-9116 |
| Compound Name: | N-(6-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 500.52 |
| Molecular Formula: | C26 H27 F3 N4 O3 |
| Smiles: | COc1cc(CN2CCCN(CC2)c2ccc(cn2)NC(c2cccc(c2)C(F)(F)F)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 4.4297 |
| logD: | 3.4635 |
| logSw: | -4.0127 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.433 |
| InChI Key: | RHGMLTAWEVEPIH-UHFFFAOYSA-N |