N-(3-chloro-4-fluorophenyl)-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]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-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]acetamide
N-(3-chloro-4-fluorophenyl)-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]acetamide
Compound characteristics
| Compound ID: | S376-3184 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-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]acetamide |
| Molecular Weight: | 447.85 |
| Molecular Formula: | C20 H19 Cl F N5 O4 |
| Smiles: | Cc1nc(C2=C3CCCCCN3C(N(CC(Nc3ccc(c(c3)[Cl])F)=O)C2=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.0992 |
| logD: | 3.0959 |
| logSw: | -3.4918 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.034 |
| InChI Key: | PDPFXSXUEBZDAQ-UHFFFAOYSA-N |