7-[(diethylamino)methyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-[(diethylamino)methyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-[(diethylamino)methyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | T634-0476 |
| Compound Name: | 7-[(diethylamino)methyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C22 H29 N3 O3 |
| Smiles: | CCN(CC)Cc1ccc2c(CN(CCO2)C(Nc2ccc(cc2)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.582 |
| logD: | 1.8284 |
| logSw: | -3.6081 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.628 |
| InChI Key: | XTPCSKLRANERJX-UHFFFAOYSA-N |