N-[(4-methylphenyl)methyl]-7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-[(4-methylphenyl)methyl]-7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | T634-0059 |
| Compound Name: | N-[(4-methylphenyl)methyl]-7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C23 H29 N3 O3 |
| Smiles: | Cc1ccc(CNC(N2CCOc3ccc(CN4CCOCC4)cc3C2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6565 |
| logD: | 2.5946 |
| logSw: | -2.9249 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.615 |
| InChI Key: | JZWCJSKQLPGPKC-UHFFFAOYSA-N |