2-(benzyloxy)-1-[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(benzyloxy)-1-[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one
2-(benzyloxy)-1-[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V015-7923 |
| Compound Name: | 2-(benzyloxy)-1-[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 512.66 |
| Molecular Formula: | C30 H36 N6 O2 |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(COCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.031 |
| logD: | 4.4853 |
| logSw: | -4.8954 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.66 |
| InChI Key: | OSRRFGMYVJOZJG-UHFFFAOYSA-N |