3,3-dimethyl-1-{4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}butan-1-one
Chemical Structure Depiction of
3,3-dimethyl-1-{4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}butan-1-one
3,3-dimethyl-1-{4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}butan-1-one
Compound characteristics
| Compound ID: | V031-0307 |
| Compound Name: | 3,3-dimethyl-1-{4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}butan-1-one |
| Molecular Weight: | 462.64 |
| Molecular Formula: | C27 H38 N6 O |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5928 |
| logD: | 5.074 |
| logSw: | -5.6461 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.497 |
| InChI Key: | FHYHPKALGDVENB-UHFFFAOYSA-N |