(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)(thiophen-2-yl)methanone
Chemical Structure Depiction of
(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)(thiophen-2-yl)methanone
(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)(thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | V014-1356 |
| Compound Name: | (4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)(thiophen-2-yl)methanone |
| Molecular Weight: | 540.66 |
| Molecular Formula: | C30 H29 F N6 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccc(cc4)F)c3n2)N2CCCN(CC2)C(c2cccs2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0154 |
| logD: | 5.9136 |
| logSw: | -5.6691 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.5 |
| InChI Key: | UNTYRRHKIPCTJU-UHFFFAOYSA-N |