5-{[4-(methylsulfanyl)phenyl]methylidene}-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[4-(methylsulfanyl)phenyl]methylidene}-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[4-(methylsulfanyl)phenyl]methylidene}-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6672-0529 |
| Compound Name: | 5-{[4-(methylsulfanyl)phenyl]methylidene}-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C21 H17 N3 O2 S2 |
| Smiles: | CSc1ccc(\C=C2/C(n3c(nc(c4ccc(cc4)OCC=C)n3)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3437 |
| logD: | 5.3437 |
| logSw: | -5.453 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.614 |
| InChI Key: | QNDLWMZLENFFIT-UHFFFAOYSA-N |