(4-butoxyphenyl)(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
Chemical Structure Depiction of
(4-butoxyphenyl)(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
(4-butoxyphenyl)(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
Compound characteristics
| Compound ID: | V011-9652 |
| Compound Name: | (4-butoxyphenyl)(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone |
| Molecular Weight: | 588.75 |
| Molecular Formula: | C36 H40 N6 O2 |
| Salt: | not_available |
| Smiles: | CCCCOc1ccc(cc1)C(N1CCCN(CC1)c1c2c(C)nn(c3ccccc3)c2nc(Cc2ccc(C)cc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1607 |
| logD: | 7.0589 |
| logSw: | -5.9862 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.899 |
| InChI Key: | HOUCSEFLJPFDGI-UHFFFAOYSA-N |