3,3-dimethyl-1-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)butan-1-one
Chemical Structure Depiction of
3,3-dimethyl-1-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)butan-1-one
3,3-dimethyl-1-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)butan-1-one
Compound characteristics
| Compound ID: | V020-3349 |
| Compound Name: | 3,3-dimethyl-1-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)butan-1-one |
| Molecular Weight: | 503.57 |
| Molecular Formula: | C26 H32 F3 N5 O2 |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2c(c3cccc(c3)C(F)(F)F)noc2n1)N1CCCN(CC1)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4121 |
| logD: | 6.4116 |
| logSw: | -6.0698 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.818 |
| InChI Key: | IMBFHKLHDFGRBA-UHFFFAOYSA-N |