2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[(4-ethylphenyl)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-[(4-ethylphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[(4-ethylphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0756 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[(4-ethylphenyl)methylidene][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(=C1/C(n2c(nc(C3COc4ccccc4O3)n2)S1)=O)\c1ccc(CC)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6405 |
| logD: | 4.6405 |
| logSw: | -4.4449 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.633 |
| InChI Key: | DNEJOCDEYNQOLW-KRWDZBQOSA-N |