ethyl N-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]-beta-alaninate
ethyl N-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | S555-2012 |
| Compound Name: | ethyl N-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]-beta-alaninate |
| Molecular Weight: | 335.4 |
| Molecular Formula: | C17 H25 N3 O4 |
| Smiles: | CCOC(CCNC(N1CCOc2ccc(cc2C1)N(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.13 |
| logD: | 2.1236 |
| logSw: | -3.0294 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.05 |
| InChI Key: | MMQPTYITWGCZCJ-UHFFFAOYSA-N |