2-(3,4-dimethoxyphenyl)-5-[(3,4-dimethoxyphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-5-[(3,4-dimethoxyphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(3,4-dimethoxyphenyl)-5-[(3,4-dimethoxyphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6187-1858 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-5-[(3,4-dimethoxyphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C21 H19 N3 O5 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(c(c3)OC)OC)n2)S1)=O)\c1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3123 |
| logD: | 3.3123 |
| logSw: | -3.6536 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.718 |
| InChI Key: | BHUIIQIJQMRWQD-UHFFFAOYSA-N |