methyl 4-{[2-(4-methylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(4-methylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
methyl 4-{[2-(4-methylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 4476-4235 |
| Compound Name: | methyl 4-{[2-(4-methylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate |
| Molecular Weight: | 377.42 |
| Molecular Formula: | C20 H15 N3 O3 S |
| Smiles: | Cc1ccc(cc1)c1nc2n(C(/C(=C/c3ccc(cc3)C(=O)OC)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.6054 |
| logD: | 4.6054 |
| logSw: | -4.4729 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.37 |
| InChI Key: | VUXAZOSZJGVKAR-UHFFFAOYSA-N |