4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione
Chemical Structure Depiction of
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione
Compound characteristics
| Compound ID: | S376-0782 |
| Compound Name: | 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione |
| Molecular Weight: | 384.41 |
| Molecular Formula: | C20 H21 F N4 O3 |
| Smiles: | CCc1nc(C2=C3CCCCCN3C(N(Cc3ccc(cc3)F)C2=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.6431 |
| logD: | 3.6431 |
| logSw: | -3.5761 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.322 |
| InChI Key: | KHIGKIQHWOQUJO-UHFFFAOYSA-N |