7-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0396 |
| Compound Name: | 7-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 442.6 |
| Molecular Formula: | C25 H38 N4 O3 |
| Smiles: | CCNC(N1CCOc2ccc(CCC(N3CCN(CC3)C3CCCCC3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9915 |
| logD: | 2.693 |
| logSw: | -3.1814 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.085 |
| InChI Key: | RBDQDDXENFXRQL-UHFFFAOYSA-N |