2-ethoxy-4-({6-[(4-fluorophenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)phenyl acetate
Chemical Structure Depiction of
2-ethoxy-4-({6-[(4-fluorophenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)phenyl acetate
2-ethoxy-4-({6-[(4-fluorophenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)phenyl acetate
Compound characteristics
| Compound ID: | C451-0117 |
| Compound Name: | 2-ethoxy-4-({6-[(4-fluorophenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)phenyl acetate |
| Molecular Weight: | 467.47 |
| Molecular Formula: | C23 H18 F N3 O5 S |
| Smiles: | CCOc1cc(\C=C2/C(N3C(=NC(C(Cc4ccc(cc4)F)=N3)=O)S2)=O)ccc1OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7991 |
| logD: | 2.7991 |
| logSw: | -3.1742 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.6 |
| InChI Key: | JNYAADUPJICUMB-UHFFFAOYSA-N |