ethyl N-[7-(ethylcarbamamido)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[7-(ethylcarbamamido)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]-beta-alaninate
ethyl N-[7-(ethylcarbamamido)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | S555-1045 |
| Compound Name: | ethyl N-[7-(ethylcarbamamido)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]-beta-alaninate |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C18 H26 N4 O5 |
| Smiles: | CCNC(Nc1ccc2c(CN(CCO2)C(NCCC(=O)OCC)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.716 |
| logD: | 1.716 |
| logSw: | -2.4493 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.768 |
| InChI Key: | HZBDOLUCUFXTEQ-UHFFFAOYSA-N |