ethyl N-{7-[(cyclopropanecarbonyl)amino]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}-beta-alaninate
Chemical Structure Depiction of
ethyl N-{7-[(cyclopropanecarbonyl)amino]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}-beta-alaninate
ethyl N-{7-[(cyclopropanecarbonyl)amino]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}-beta-alaninate
Compound characteristics
| Compound ID: | S555-1685 |
| Compound Name: | ethyl N-{7-[(cyclopropanecarbonyl)amino]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}-beta-alaninate |
| Molecular Weight: | 375.42 |
| Molecular Formula: | C19 H25 N3 O5 |
| Smiles: | CCOC(CCNC(N1CCOc2ccc(cc2C1)NC(C1CC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9265 |
| logD: | 1.9265 |
| logSw: | -2.7309 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.86 |
| InChI Key: | BJRHLDITZNUQPZ-UHFFFAOYSA-N |