2-[2-nitro-5-(piperazin-1-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-[2-nitro-5-(piperazin-1-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline
2-[2-nitro-5-(piperazin-1-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | 8013-6755 |
| Compound Name: | 2-[2-nitro-5-(piperazin-1-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 338.41 |
| Molecular Formula: | C19 H22 N4 O2 |
| Smiles: | C1CN(Cc2ccccc12)c1cc(ccc1[N+]([O-])=O)N1CCNCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.9019 |
| logD: | 1.5757 |
| logSw: | -3.442 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.546 |
| InChI Key: | BBMODURIERVVDV-UHFFFAOYSA-N |