methyl 4-{[3-(3-methylphenyl)-5-oxo[1,3]thiazolo[2,3-c][1,2,4]triazol-6(5H)-ylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(3-methylphenyl)-5-oxo[1,3]thiazolo[2,3-c][1,2,4]triazol-6(5H)-ylidene]methyl}benzoate
methyl 4-{[3-(3-methylphenyl)-5-oxo[1,3]thiazolo[2,3-c][1,2,4]triazol-6(5H)-ylidene]methyl}benzoate
Compound characteristics
Compound ID: | 6634-0285 |
Compound Name: | methyl 4-{[3-(3-methylphenyl)-5-oxo[1,3]thiazolo[2,3-c][1,2,4]triazol-6(5H)-ylidene]methyl}benzoate |
Molecular Weight: | 377.42 |
Molecular Formula: | C20 H15 N3 O3 S |
Smiles: | Cc1cccc(c1)c1nnc2n1C(/C(=C/c1ccc(cc1)C(=O)OC)S2)=O |
Stereo: | ACHIRAL |
logP: | 3.9345 |
logD: | 3.9345 |
logSw: | -4.0878 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 59.118 |
InChI Key: | TVZBAXGOIQOUNA-UHFFFAOYSA-N |