N-benzyl-4-(3-methylbutyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-4-(3-methylbutyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-benzyl-4-(3-methylbutyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0242 |
| Compound Name: | N-benzyl-4-(3-methylbutyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 352.48 |
| Molecular Formula: | C22 H28 N2 O2 |
| Smiles: | CC(C)CCN1CCOc2ccc(cc2C1)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1261 |
| logD: | 3.4981 |
| logSw: | -4.1092 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.578 |
| InChI Key: | OIOYKVSIMWFTOB-UHFFFAOYSA-N |