N-ethyl-7-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-ethyl-7-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-ethyl-7-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0403 |
| Compound Name: | N-ethyl-7-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 388.51 |
| Molecular Formula: | C21 H32 N4 O3 |
| Smiles: | CCNC(N1CCOc2ccc(CCC(N3CCN(CC)CC3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4972 |
| logD: | 1.1768 |
| logSw: | -2.3058 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.529 |
| InChI Key: | FBAPVIMZPYHCPG-UHFFFAOYSA-N |