4-{6-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-{6-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
4-{6-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V011-6361 |
| Compound Name: | 4-{6-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 606.57 |
| Molecular Formula: | C29 H28 F6 N6 O2 |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(c2c(c3cccc(c3)C(F)(F)F)noc2n1)N1CCCN(CC1)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.6418 |
| logD: | 7.6412 |
| logSw: | -6.0632 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.894 |
| InChI Key: | DNOPJKWNPKPZRE-UHFFFAOYSA-N |