3,5,5-trimethyl-1-[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]hexan-1-one
Chemical Structure Depiction of
3,5,5-trimethyl-1-[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]hexan-1-one
3,5,5-trimethyl-1-[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]hexan-1-one
Compound characteristics
| Compound ID: | V008-7152 |
| Compound Name: | 3,5,5-trimethyl-1-[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]hexan-1-one |
| Molecular Weight: | 490.69 |
| Molecular Formula: | C29 H42 N6 O |
| Smiles: | CCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(CC(C)CC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2078 |
| logD: | 5.7641 |
| logSw: | -5.7533 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.497 |
| InChI Key: | MBAVELPMPVSGIP-OAQYLSRUSA-N |