5-{[4-(methylsulfanyl)phenyl]methylidene}-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[4-(methylsulfanyl)phenyl]methylidene}-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[4-(methylsulfanyl)phenyl]methylidene}-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0964 |
| Compound Name: | 5-{[4-(methylsulfanyl)phenyl]methylidene}-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C21 H19 N3 O2 S2 |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(cc3)OCCC)n2)S1)=O)\c1ccc(cc1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.7699 |
| logD: | 5.7699 |
| logSw: | -5.569 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.614 |
| InChI Key: | QSNSZIPLHDQEPT-UHFFFAOYSA-N |