5-benzylidene-2-(3-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-benzylidene-2-(3-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-benzylidene-2-(3-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6187-1596 |
| Compound Name: | 5-benzylidene-2-(3-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 319.38 |
| Molecular Formula: | C18 H13 N3 O S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3cccc(C)c3)n2)S1)=O)\c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4648 |
| logD: | 4.4648 |
| logSw: | -4.4708 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.196 |
| InChI Key: | YWWAJMQXRFSQAA-UHFFFAOYSA-N |