2-chloro-1-{4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
2-chloro-1-{4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
2-chloro-1-{4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V031-0312 |
| Compound Name: | 2-chloro-1-{4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 440.98 |
| Molecular Formula: | C23 H29 Cl N6 O |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(C[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9493 |
| logD: | 3.4305 |
| logSw: | -4.1759 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.497 |
| InChI Key: | XRAUMMUBMAIRHQ-UHFFFAOYSA-N |