methyl 4-{[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
methyl 4-{[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 6187-2098 |
| Compound Name: | methyl 4-{[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C21 H17 N3 O5 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(c(c3)OC)OC)n2)S1)=O)\c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8045 |
| logD: | 3.8045 |
| logSw: | -4.1364 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.631 |
| InChI Key: | PINNTYBNJKYNMF-UHFFFAOYSA-N |