2-[(3,4-difluorophenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione
Chemical Structure Depiction of
2-[(3,4-difluorophenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione
2-[(3,4-difluorophenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione
Compound characteristics
| Compound ID: | S376-3276 |
| Compound Name: | 2-[(3,4-difluorophenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione |
| Molecular Weight: | 388.37 |
| Molecular Formula: | C19 H18 F2 N4 O3 |
| Smiles: | Cc1nc(C2=C3CCCCCN3C(N(Cc3ccc(c(c3)F)F)C2=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.1886 |
| logD: | 3.1886 |
| logSw: | -3.0941 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.884 |
| InChI Key: | QKMPRBKXJIRXDY-UHFFFAOYSA-N |