N-[(4-methylphenyl)methyl]-4-[1-(2-methylpropyl)piperidin-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-4-[1-(2-methylpropyl)piperidin-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-[(4-methylphenyl)methyl]-4-[1-(2-methylpropyl)piperidin-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0216 |
| Compound Name: | N-[(4-methylphenyl)methyl]-4-[1-(2-methylpropyl)piperidin-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 435.61 |
| Molecular Formula: | C27 H37 N3 O2 |
| Smiles: | CC(C)CN1CCC(CC1)N1CCOc2ccc(cc2C1)C(NCc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.584 |
| logD: | 2.9067 |
| logSw: | -4.3107 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.694 |
| InChI Key: | JTNFWBOHHGMQCB-UHFFFAOYSA-N |