N-ethyl-7-[3-(3-methoxyanilino)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-ethyl-7-[3-(3-methoxyanilino)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-ethyl-7-[3-(3-methoxyanilino)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0390 |
| Compound Name: | N-ethyl-7-[3-(3-methoxyanilino)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C22 H27 N3 O4 |
| Smiles: | CCNC(N1CCOc2ccc(CCC(Nc3cccc(c3)OC)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1078 |
| logD: | 3.1077 |
| logSw: | -3.3225 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.293 |
| InChI Key: | KUTIIVVGXMVGGZ-UHFFFAOYSA-N |