2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-{[4-(methylsulfanyl)phenyl]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-(methylsulfanyl)phenyl]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-(methylsulfanyl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0973 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-{[4-(methylsulfanyl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 409.48 |
| Molecular Formula: | C20 H15 N3 O3 S2 |
| Smiles: | [H]C(=C1/C(n2c(nc(C3COc4ccccc4O3)n2)S1)=O)\c1ccc(cc1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4292 |
| logD: | 4.4292 |
| logSw: | -4.4422 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.633 |
| InChI Key: | NPOAYPDOMINIRG-INIZCTEOSA-N |