N-(6-{4-[(2-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylbutanamide
Chemical Structure Depiction of
N-(6-{4-[(2-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylbutanamide
N-(6-{4-[(2-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylbutanamide
Compound characteristics
| Compound ID: | V028-7822 |
| Compound Name: | N-(6-{4-[(2-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylbutanamide |
| Molecular Weight: | 474.6 |
| Molecular Formula: | C28 H34 N4 O3 |
| Salt: | not_available |
| Smiles: | CCC(C(Nc1ccc(nc1)N1CCCN(CC1)Cc1cccc(c1O)OC)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2403 |
| logD: | 4.297 |
| logSw: | -4.8165 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.364 |
| InChI Key: | GQTMZOAWFWDPBO-XMMPIXPASA-N |