2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl]-N-(2-methylphenyl)acetamide
Chemical Structure Depiction of
2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl]-N-(2-methylphenyl)acetamide
2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl]-N-(2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | S376-3164 |
| Compound Name: | 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl]-N-(2-methylphenyl)acetamide |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C21 H23 N5 O4 |
| Smiles: | Cc1ccccc1NC(CN1C(C(=C2CCCCCN2C1=O)c1nc(C)on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1639 |
| logD: | 2.1639 |
| logSw: | -2.6236 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.336 |
| InChI Key: | ANKGWEBCSQJWGV-UHFFFAOYSA-N |