2-(3-chlorophenyl)-5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(3-chlorophenyl)-5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6187-2041 |
| Compound Name: | 2-(3-chlorophenyl)-5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 425.89 |
| Molecular Formula: | C21 H16 Cl N3 O3 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3cccc(c3)[Cl])n2)S1)=O)\c1ccc(c(c1)OC)OCC=C |
| Stereo: | ACHIRAL |
| logP: | 5.1349 |
| logD: | 5.1349 |
| logSw: | -5.755 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.331 |
| InChI Key: | GTNBBNBPKLYAEA-UHFFFAOYSA-N |