2-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-en-1-ylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-en-1-ylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-en-1-ylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6187-2122 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-en-1-ylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C21 H17 N3 O3 S |
| Smiles: | [H]C(\C=C/c1ccccc1)=C1/C(n2c(nc(c3ccc(c(c3)OC)OC)n2)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3972 |
| logD: | 4.3972 |
| logSw: | -4.5556 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.457 |
| InChI Key: | QCRYVCAKIMEGJO-UHFFFAOYSA-N |