3-[3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-8-methoxy-2H-1-benzopyran-2-one
3-[3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K243-0224 |
| Compound Name: | 3-[3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C20 H13 F N4 O3 S |
| Smiles: | COc1cccc2C=C(C3CSc4nnc(c5cccc(c5)F)n4N=3)C(=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 3.7308 |
| logD: | 3.7308 |
| logSw: | -4.1934 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.194 |
| InChI Key: | DOXLCEKQFICQAQ-UHFFFAOYSA-N |