(3,4-dichlorophenyl)(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
Chemical Structure Depiction of
(3,4-dichlorophenyl)(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
(3,4-dichlorophenyl)(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
Compound characteristics
| Compound ID: | V028-1921 |
| Compound Name: | (3,4-dichlorophenyl)(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone |
| Molecular Weight: | 603.53 |
| Molecular Formula: | C32 H29 Cl2 F N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccc(cc4)F)c3n2)N2CCCN(CC2)C(c2ccc(c(c2)[Cl])[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.079 |
| logD: | 6.9772 |
| logSw: | -6.5879 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.481 |
| InChI Key: | YOVSVRWYLWVCKL-UHFFFAOYSA-N |