4-tert-butyl-N-(6-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide
Chemical Structure Depiction of
4-tert-butyl-N-(6-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide
4-tert-butyl-N-(6-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide
Compound characteristics
| Compound ID: | V023-7940 |
| Compound Name: | 4-tert-butyl-N-(6-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide |
| Molecular Weight: | 488.63 |
| Molecular Formula: | C29 H36 N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1ccc(nc1)N1CCCN(CC1)Cc1ccc(c(c1)OC)O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4207 |
| logD: | 4.4545 |
| logSw: | -5.0054 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.433 |
| InChI Key: | YXIBWYZGNGVXLP-UHFFFAOYSA-N |