4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-{[4-(trifluoromethoxy)phenyl]methyl}-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione
Chemical Structure Depiction of
4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-{[4-(trifluoromethoxy)phenyl]methyl}-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione
4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-{[4-(trifluoromethoxy)phenyl]methyl}-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione
Compound characteristics
| Compound ID: | S376-3096 |
| Compound Name: | 4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-{[4-(trifluoromethoxy)phenyl]methyl}-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione |
| Molecular Weight: | 436.39 |
| Molecular Formula: | C20 H19 F3 N4 O4 |
| Smiles: | Cc1nc(C2=C3CCCCCN3C(N(Cc3ccc(cc3)OC(F)(F)F)C2=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.1544 |
| logD: | 4.1544 |
| logSw: | -4.1467 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.821 |
| InChI Key: | DXHDDDLOUMILPZ-UHFFFAOYSA-N |