6-butyl-3-methyl-4-{4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl}-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
6-butyl-3-methyl-4-{4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl}-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
6-butyl-3-methyl-4-{4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl}-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V010-0502 |
| Compound Name: | 6-butyl-3-methyl-4-{4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl}-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 468.65 |
| Molecular Formula: | C29 H36 N6 |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)Cc1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.38 |
| logD: | 5.8343 |
| logSw: | -5.9799 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.837 |
| InChI Key: | APHLNMBOYBMAHW-UHFFFAOYSA-N |