N-(4-chlorophenyl)-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]acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-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]acetamide
N-(4-chlorophenyl)-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]acetamide
Compound characteristics
| Compound ID: | S376-3388 |
| Compound Name: | N-(4-chlorophenyl)-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]acetamide |
| Molecular Weight: | 443.89 |
| Molecular Formula: | C21 H22 Cl N5 O4 |
| Smiles: | CCc1nc(C2=C3CCCCCN3C(N(CC(Nc3ccc(cc3)[Cl])=O)C2=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.6146 |
| logD: | 3.6146 |
| logSw: | -3.8742 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.471 |
| InChI Key: | MGDKUEXHQKBDJP-UHFFFAOYSA-N |