4-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2-methoxyethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Chemical Structure Depiction of
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2-methoxyethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2-methoxyethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | S896-0039 |
| Compound Name: | 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2-methoxyethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C23 H32 N4 O3 |
| Smiles: | CCOc1ccccc1N1CCN(CC1)c1c2CCOCCc2nc(CCOC)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6638 |
| logD: | 3.6601 |
| logSw: | -3.817 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.359 |
| InChI Key: | PAYYIBNYLSMCPC-UHFFFAOYSA-N |