(4-ethylphenyl)(4-{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-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
(4-ethylphenyl)(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
Compound characteristics
| Compound ID: | V012-6727 |
| Compound Name: | (4-ethylphenyl)(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone |
| Molecular Weight: | 530.67 |
| Molecular Formula: | C33 H34 N6 O |
| Salt: | not_available |
| Smiles: | CCc1ccc(cc1)C(N1CCCN(CC1)c1c2cnn(c3ccccc3)c2nc(Cc2ccc(C)cc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8638 |
| logD: | 6.8533 |
| logSw: | -5.6428 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.128 |
| InChI Key: | WHTQHEGHZLEOKO-UHFFFAOYSA-N |