[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl][3-(trifluoromethyl)phenyl]methanone
Chemical Structure Depiction of
[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl][3-(trifluoromethyl)phenyl]methanone
[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl][3-(trifluoromethyl)phenyl]methanone
Compound characteristics
| Compound ID: | V006-3011 |
| Compound Name: | [4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl][3-(trifluoromethyl)phenyl]methanone |
| Molecular Weight: | 536.6 |
| Molecular Formula: | C29 H31 F3 N6 O |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9219 |
| logD: | 5.3762 |
| logSw: | -5.8419 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.753 |
| InChI Key: | XBSFCNYNSQTKJB-UHFFFAOYSA-N |