N-ethyl-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-ethyl-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-ethyl-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0451 |
| Compound Name: | N-ethyl-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C25 H32 N4 O3 |
| Smiles: | CCNC(N1CCOc2ccc(CCC(N3CCN(CC3)c3ccccc3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9697 |
| logD: | 2.9697 |
| logSw: | -3.2609 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.252 |
| InChI Key: | ZKQQSQBQXHRJMG-UHFFFAOYSA-N |