N-[(4-methoxyphenyl)methyl]-7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-[(4-methoxyphenyl)methyl]-7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | T634-0776 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C24 H31 N3 O3 |
| Smiles: | COc1ccc(CNC(N2CCOc3ccc(CN4CCCCC4)cc3C2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3224 |
| logD: | 1.6914 |
| logSw: | -3.4163 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.25 |
| InChI Key: | ZBBVVMBIZGRESF-UHFFFAOYSA-N |