4-[(azepan-1-yl)acetyl]-N-benzyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-[(azepan-1-yl)acetyl]-N-benzyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-[(azepan-1-yl)acetyl]-N-benzyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0289 |
| Compound Name: | 4-[(azepan-1-yl)acetyl]-N-benzyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C25 H31 N3 O3 |
| Smiles: | C1CCCN(CC1)CC(N1CCOc2ccc(cc2C1)C(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.118 |
| logD: | 2.9795 |
| logSw: | -3.3111 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.052 |
| InChI Key: | MWQGQTURBWRLOT-UHFFFAOYSA-N |