N-(3-methylphenyl)-7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-(3-methylphenyl)-7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-(3-methylphenyl)-7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | T634-0037 |
| Compound Name: | N-(3-methylphenyl)-7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 381.47 |
| Molecular Formula: | C22 H27 N3 O3 |
| Smiles: | Cc1cccc(c1)NC(N1CCOc2ccc(CN3CCOCC3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9655 |
| logD: | 2.9036 |
| logSw: | -3.0585 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.293 |
| InChI Key: | NAHKPSAEDRQUBA-UHFFFAOYSA-N |