4-[4-(4-nitrophenyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrido[1,2-e]purine
Chemical Structure Depiction of
4-[4-(4-nitrophenyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrido[1,2-e]purine
4-[4-(4-nitrophenyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrido[1,2-e]purine
Compound characteristics
| Compound ID: | C660-0544 |
| Compound Name: | 4-[4-(4-nitrophenyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrido[1,2-e]purine |
| Molecular Weight: | 379.42 |
| Molecular Formula: | C19 H21 N7 O2 |
| Smiles: | C1CCn2c(C1)nc1c(ncnc12)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.121 |
| logD: | 3.1152 |
| logSw: | -3.3035 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.906 |
| InChI Key: | TWHICMFCTQQODA-UHFFFAOYSA-N |