4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Chemical Structure Depiction of
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | S896-0075 |
| Compound Name: | 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine |
| Molecular Weight: | 352.48 |
| Molecular Formula: | C21 H28 N4 O |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)c1c2CCOCCc2nc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.3291 |
| logD: | 4.3183 |
| logSw: | -4.3926 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 34.428 |
| InChI Key: | ZBWHFBHCHARHOR-UHFFFAOYSA-N |