5-benzylidene-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-benzylidene-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-benzylidene-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0222 |
| Compound Name: | 5-benzylidene-2-(4-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(c3ccc(C)cc3)n2)S1)=O)\c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5189 |
| logD: | 4.5189 |
| logSw: | -4.4099 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.196 |
| InChI Key: | SFLLIWHECBVTCC-UHFFFAOYSA-N |