2-[(3-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)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: | S376-1425 |
| Compound Name: | 2-[(3-methoxyphenyl)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: | 382.42 |
| Molecular Formula: | C20 H22 N4 O4 |
| Smiles: | Cc1nc(C2=C3CCCCCN3C(N(Cc3cccc(c3)OC)C2=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.0185 |
| logD: | 3.0185 |
| logSw: | -3.0942 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.428 |
| InChI Key: | YPXUTXXQNYBYJH-UHFFFAOYSA-N |