(4-butylphenyl)(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)methanone
Chemical Structure Depiction of
(4-butylphenyl)(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)methanone
(4-butylphenyl)(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V030-4346 |
| Compound Name: | (4-butylphenyl)(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)methanone |
| Molecular Weight: | 558.73 |
| Molecular Formula: | C35 H38 N6 O |
| Salt: | not_available |
| Smiles: | CCCCc1ccc(cc1)C(N1CCN(CC1)c1c2c(C)nn(c3ccccc3)c2nc(Cc2ccc(C)cc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4293 |
| logD: | 7.3276 |
| logSw: | -6.0282 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.15 |
| InChI Key: | YYIBAQRVQSHCQG-UHFFFAOYSA-N |