4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(2-methylphenyl)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-[(2-methylphenyl)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-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione
Compound characteristics
| Compound ID: | S376-3287 |
| Compound Name: | 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione |
| Molecular Weight: | 380.45 |
| Molecular Formula: | C21 H24 N4 O3 |
| Smiles: | CCc1nc(C2=C3CCCCCN3C(N(Cc3ccccc3C)C2=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.2327 |
| logD: | 4.2327 |
| logSw: | -4.0521 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.322 |
| InChI Key: | PGHVQWUQWSMDHE-UHFFFAOYSA-N |