(4-chloro-3-nitrophenyl){4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone
Chemical Structure Depiction of
(4-chloro-3-nitrophenyl){4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone
(4-chloro-3-nitrophenyl){4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | V012-3830 |
| Compound Name: | (4-chloro-3-nitrophenyl){4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone |
| Molecular Weight: | 534.02 |
| Molecular Formula: | C27 H28 Cl N7 O3 |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCN(CC1)C(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9789 |
| logD: | 4.4601 |
| logSw: | -5.2248 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.502 |
| InChI Key: | MWMUIYCJBQMTLM-UHFFFAOYSA-N |