2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[(4-methylphenyl)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-methylphenyl)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-methylphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | Y070-1331 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[(4-methylphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 377.42 |
| Molecular Formula: | C20 H15 N3 O3 S |
| Smiles: | Cc1ccc(\C=C2/C(n3c(nc(C4COc5ccccc5O4)n3)S2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1332 |
| logD: | 4.1332 |
| logSw: | -4.3127 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.633 |
| InChI Key: | IOCWKEQWYWXZBP-INIZCTEOSA-N |