1-[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methoxyethan-1-one
Chemical Structure Depiction of
1-[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methoxyethan-1-one
1-[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | V017-6306 |
| Compound Name: | 1-[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methoxyethan-1-one |
| Molecular Weight: | 436.56 |
| Molecular Formula: | C24 H32 N6 O2 |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(COC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3678 |
| logD: | 2.8221 |
| logSw: | -3.7673 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.921 |
| InChI Key: | KIZNUHFKOSMCGQ-UHFFFAOYSA-N |