4-(5-methyl-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-methyl-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-methyl-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: | S376-3099 |
| Compound Name: | 4-(5-methyl-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: | 366.42 |
| Molecular Formula: | C20 H22 N4 O3 |
| Smiles: | Cc1ccccc1CN1C(C(=C2CCCCCN2C1=O)c1nc(C)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5818 |
| logD: | 3.5818 |
| logSw: | -3.3376 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.884 |
| InChI Key: | LHRZMZYMVPGJQX-UHFFFAOYSA-N |