6-butyl-3-methyl-4-{4-[(3-nitrophenyl)methyl]piperazin-1-yl}-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
6-butyl-3-methyl-4-{4-[(3-nitrophenyl)methyl]piperazin-1-yl}-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
6-butyl-3-methyl-4-{4-[(3-nitrophenyl)methyl]piperazin-1-yl}-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V014-1632 |
| Compound Name: | 6-butyl-3-methyl-4-{4-[(3-nitrophenyl)methyl]piperazin-1-yl}-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 485.59 |
| Molecular Formula: | C27 H31 N7 O2 |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCN(CC1)Cc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3215 |
| logD: | 4.7757 |
| logSw: | -5.5033 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.887 |
| InChI Key: | OXORMVILCRCGIP-UHFFFAOYSA-N |