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-[(4-fluorophenyl)methyl]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-[(4-fluorophenyl)methyl]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-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | S376-3396 |
| 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-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C22 H24 F N5 O4 |
| Smiles: | CCc1nc(C2=C3CCCCCN3C(N(CC(NCc3ccc(cc3)F)=O)C2=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.6267 |
| logD: | 2.6267 |
| logSw: | -2.8211 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.793 |
| InChI Key: | CSJSWCXVVLCESC-UHFFFAOYSA-N |