1-(4-{6-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-(phenylsulfanyl)ethan-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-(phenylsulfanyl)ethan-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-(phenylsulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | V015-7887 |
| 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-(phenylsulfanyl)ethan-1-one |
| Molecular Weight: | 569.65 |
| Molecular Formula: | C29 H30 F3 N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(c2c(c3cccc(c3)C(F)(F)F)noc2n1)N1CCCN(CC1)C(CSc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7212 |
| logD: | 6.7207 |
| logSw: | -6.0111 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.546 |
| InChI Key: | IJYFBMGIMNBRKK-UHFFFAOYSA-N |