2-(4-methoxyphenyl)-4-[4-(pentan-3-yl)piperazin-1-yl]-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Chemical Structure Depiction of
2-(4-methoxyphenyl)-4-[4-(pentan-3-yl)piperazin-1-yl]-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
2-(4-methoxyphenyl)-4-[4-(pentan-3-yl)piperazin-1-yl]-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | S896-0163 |
| Compound Name: | 2-(4-methoxyphenyl)-4-[4-(pentan-3-yl)piperazin-1-yl]-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine |
| Molecular Weight: | 410.56 |
| Molecular Formula: | C24 H34 N4 O2 |
| Smiles: | CCC(CC)N1CCN(CC1)c1c2CCOCCc2nc(c2ccc(cc2)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2327 |
| logD: | 3.5202 |
| logSw: | -5.2053 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.161 |
| InChI Key: | JZIBTOCPOLVUAK-UHFFFAOYSA-N |