2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Chemical Structure Depiction of
2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | S896-0080 |
| Compound Name: | 2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine |
| Molecular Weight: | 338.45 |
| Molecular Formula: | C20 H26 N4 O |
| Smiles: | Cc1cccc(c1)N1CCN(CC1)c1c2CCOCCc2nc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6137 |
| logD: | 3.6028 |
| logSw: | -3.6248 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 34.729 |
| InChI Key: | BNPPEZKYXHQSIC-UHFFFAOYSA-N |