1-(4-{6-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-phenylbutan-1-one
Chemical Structure Depiction of
1-(4-{6-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-phenylbutan-1-one
1-(4-{6-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-phenylbutan-1-one
Compound characteristics
| Compound ID: | V015-3948 |
| Compound Name: | 1-(4-{6-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-phenylbutan-1-one |
| Molecular Weight: | 565.64 |
| Molecular Formula: | C31 H34 F3 N5 O2 |
| Salt: | not_available |
| Smiles: | CCC(C(N1CCCN(CC1)c1c2c(c3cccc(c3)C(F)(F)F)noc2nc(CC(C)C)n1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.4162 |
| logD: | 7.4156 |
| logSw: | -6.0018 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.074 |
| InChI Key: | BEOQZLZMDZHQAB-XMMPIXPASA-N |