3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}-1H-pyrazolo[3,4-d]pyrimidine
3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V016-8247 |
| Compound Name: | 3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 620.7 |
| Molecular Formula: | C32 H31 F3 N6 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccccc4)c3n2)N2CCCN(CC2)S(c2cccc(c2)C(F)(F)F)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.7798 |
| logD: | 6.6781 |
| logSw: | -6.164 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.544 |
| InChI Key: | JKNWQZCJDAONKW-UHFFFAOYSA-N |