ethyl N-{7-[3-(cyclopropylamino)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}-beta-alaninate
Chemical Structure Depiction of
ethyl N-{7-[3-(cyclopropylamino)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}-beta-alaninate
ethyl N-{7-[3-(cyclopropylamino)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}-beta-alaninate
Compound characteristics
| Compound ID: | S629-1856 |
| Compound Name: | ethyl N-{7-[3-(cyclopropylamino)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}-beta-alaninate |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C21 H29 N3 O5 |
| Smiles: | CCOC(CCNC(N1CCOc2ccc(CCC(NC3CC3)=O)cc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8732 |
| logD: | 1.8732 |
| logSw: | -2.64 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.502 |
| InChI Key: | PDXAPCGFDSTORG-UHFFFAOYSA-N |