7-[(diethylamino)methyl]-N-(3-ethoxypropyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-[(diethylamino)methyl]-N-(3-ethoxypropyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-[(diethylamino)methyl]-N-(3-ethoxypropyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | T634-0464 |
| Compound Name: | 7-[(diethylamino)methyl]-N-(3-ethoxypropyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 363.5 |
| Molecular Formula: | C20 H33 N3 O3 |
| Smiles: | CCN(CC)Cc1ccc2c(CN(CCO2)C(NCCCOCC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.7062 |
| logD: | 0.9526 |
| logSw: | -2.9082 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.497 |
| InChI Key: | MDTRQVWYURJQCK-UHFFFAOYSA-N |