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-(2-methoxyphenyl)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-(2-methoxyphenyl)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-(2-methoxyphenyl)acetamide
Compound characteristics
Compound ID: | S376-3318 |
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-(2-methoxyphenyl)acetamide |
Molecular Weight: | 439.47 |
Molecular Formula: | C22 H25 N5 O5 |
Smiles: | CCc1nc(C2=C3CCCCCN3C(N(CC(Nc3ccccc3OC)=O)C2=O)=O)no1 |
Stereo: | ACHIRAL |
logP: | 2.773 |
logD: | 2.773 |
logSw: | -3.0298 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 94.404 |
InChI Key: | APIRIYUJNGMSMG-UHFFFAOYSA-N |