2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[(3,4-dimethoxyphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[(3,4-dimethoxyphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[(3,4-dimethoxyphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | Y070-1515 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[(3,4-dimethoxyphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C21 H17 N3 O5 S |
| Smiles: | COc1ccc(/C=C2/C(n3c(nc(C4COc5ccccc5O4)n3)S2)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3084 |
| logD: | 3.3084 |
| logSw: | -3.6175 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.894 |
| InChI Key: | CXDZZPHLJPFXHC-KRWDZBQOSA-N |