2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Chemical Structure Depiction of
2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Compound characteristics
| Compound ID: | S376-3321 |
| Compound Name: | 2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide |
| Molecular Weight: | 414.42 |
| Molecular Formula: | C19 H22 N6 O5 |
| Smiles: | CCc1nc(C2=C3CCCCCN3C(N(CC(Nc3cc(C)on3)=O)C2=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.3942 |
| logD: | 2.3866 |
| logSw: | -2.8138 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.267 |
| InChI Key: | YSLLMUXXQUAJPR-UHFFFAOYSA-N |