7-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0399 |
| Compound Name: | 7-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C23 H29 N3 O5 |
| Smiles: | CCNC(N1CCOc2ccc(CCC(Nc3cc(ccc3OC)OC)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7248 |
| logD: | 2.7226 |
| logSw: | -3.1817 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.225 |
| InChI Key: | OYLWQJKFUGZNJY-UHFFFAOYSA-N |