4-[4-(4-nitrophenyl)piperazin-1-yl]-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purine
Chemical Structure Depiction of
4-[4-(4-nitrophenyl)piperazin-1-yl]-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purine
4-[4-(4-nitrophenyl)piperazin-1-yl]-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purine
Compound characteristics
| Compound ID: | E679-0633 |
| Compound Name: | 4-[4-(4-nitrophenyl)piperazin-1-yl]-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purine |
| Molecular Weight: | 393.45 |
| Molecular Formula: | C20 H23 N7 O2 |
| Smiles: | C1CCc2nc3c(ncnc3n2CC1)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6169 |
| logD: | 3.6111 |
| logSw: | -3.6286 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.237 |
| InChI Key: | VVWNESSXLBWSKS-UHFFFAOYSA-N |