4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione
Chemical Structure Depiction of
4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione
4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione
Compound characteristics
| Compound ID: | S376-3153 |
| Compound Name: | 4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione |
| Molecular Weight: | 366.42 |
| Molecular Formula: | C20 H22 N4 O3 |
| Smiles: | Cc1cccc(CN2C(C(=C3CCCCCN3C2=O)c2nc(C)on2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6098 |
| logD: | 3.6098 |
| logSw: | -3.5065 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.884 |
| InChI Key: | ZPJXMCWXVMBHQA-UHFFFAOYSA-N |