4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-{[3-(trifluoromethyl)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-{[3-(trifluoromethyl)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-{[3-(trifluoromethyl)phenyl]methyl}-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione
Compound characteristics
| Compound ID: | S376-3185 |
| Compound Name: | 4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-{[3-(trifluoromethyl)phenyl]methyl}-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione |
| Molecular Weight: | 420.39 |
| Molecular Formula: | C20 H19 F3 N4 O3 |
| Smiles: | Cc1nc(C2=C3CCCCCN3C(N(Cc3cccc(c3)C(F)(F)F)C2=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.72 |
| logD: | 3.72 |
| logSw: | -3.89 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.884 |
| InChI Key: | GEWRDVZDWBUVGE-UHFFFAOYSA-N |