7-[(diethylamino)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-[(diethylamino)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-[(diethylamino)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | T634-0468 |
| Compound Name: | 7-[(diethylamino)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C23 H29 N3 O4 |
| Smiles: | CCN(CC)Cc1ccc2c(CN(CCO2)C(Nc2ccc3c(c2)OCCO3)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.5722 |
| logD: | 0.8186 |
| logSw: | -3.0072 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.908 |
| InChI Key: | UMSVJRWYTNQERJ-UHFFFAOYSA-N |