(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)[3-(trifluoromethyl)phenyl]methanone
Chemical Structure Depiction of
(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)[3-(trifluoromethyl)phenyl]methanone
(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)[3-(trifluoromethyl)phenyl]methanone
Compound characteristics
Compound ID: | V005-5908 |
Compound Name: | (4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)[3-(trifluoromethyl)phenyl]methanone |
Molecular Weight: | 584.64 |
Molecular Formula: | C33 H31 F3 N6 O |
Salt: | not_available |
Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccccc4)c3n2)N2CCCN(CC2)C(c2cccc(c2)C(F)(F)F)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 6.4478 |
logD: | 6.346 |
logSw: | -6.0493 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 54.481 |
InChI Key: | AKHPCKFKUHRPFT-UHFFFAOYSA-N |