2-[2-(4-methoxyphenyl)ethyl]-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-[2-(4-methoxyphenyl)ethyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione
2-[2-(4-methoxyphenyl)ethyl]-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: | S376-3191 |
| Compound Name: | 2-[2-(4-methoxyphenyl)ethyl]-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: | 396.44 |
| Molecular Formula: | C21 H24 N4 O4 |
| Smiles: | Cc1nc(C2=C3CCCCCN3C(N(CCc3ccc(cc3)OC)C2=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.0997 |
| logD: | 3.0997 |
| logSw: | -3.1377 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.406 |
| InChI Key: | ZKAUPBKZMRORBM-UHFFFAOYSA-N |