(2-chloro-4-nitrophenyl){4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone
Chemical Structure Depiction of
(2-chloro-4-nitrophenyl){4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone
(2-chloro-4-nitrophenyl){4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | V019-8746 |
| Compound Name: | (2-chloro-4-nitrophenyl){4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone |
| Molecular Weight: | 566.03 |
| Molecular Formula: | C28 H29 Cl F N7 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCN(CC1)C(c1ccc(cc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8447 |
| logD: | 5.1865 |
| logSw: | -6.0404 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.803 |
| InChI Key: | CVYYOQCUTMRXHW-UHFFFAOYSA-N |