(4-ethylphenyl)(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-ethylphenyl)(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
(4-ethylphenyl)(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: | V031-0245 |
| Compound Name: | (4-ethylphenyl)(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: | 544.7 |
| Molecular Formula: | C34 H36 N6 O |
| Salt: | not_available |
| Smiles: | CCc1ccc(cc1)C(N1CCCN(CC1)c1c2c(C)nn(c3ccccc3)c2nc(Cc2ccc(C)cc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.659 |
| logD: | 6.5573 |
| logSw: | -6.0016 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.481 |
| InChI Key: | VRRTWZVVEQLLTD-UHFFFAOYSA-N |