4-({6-[(4-fluorophenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-({6-[(4-fluorophenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)-2-methoxyphenyl acetate
4-({6-[(4-fluorophenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | C451-0119 |
| Compound Name: | 4-({6-[(4-fluorophenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)-2-methoxyphenyl acetate |
| Molecular Weight: | 453.45 |
| Molecular Formula: | C22 H16 F N3 O5 S |
| Smiles: | CC(=O)Oc1ccc(\C=C2/C(N3C(=NC(C(Cc4ccc(cc4)F)=N3)=O)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.6535 |
| logD: | 2.6535 |
| logSw: | -3.0351 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.02 |
| InChI Key: | QJXMNYSWRXRQTK-UHFFFAOYSA-N |