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-phenylacetamide
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-phenylacetamide
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-phenylacetamide
Compound characteristics
| Compound ID: | S376-3374 |
| 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-phenylacetamide |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C21 H23 N5 O4 |
| Smiles: | CCc1nc(C2=C3CCCCCN3C(N(CC(Nc3ccccc3)=O)C2=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.8282 |
| logD: | 2.8282 |
| logSw: | -3.1904 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.471 |
| InChI Key: | JOBRNLCABWUWTE-UHFFFAOYSA-N |