methyl 4-{2-[(6-methyl-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-methyl-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-methyl-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | F143-0079 |
| Compound Name: | methyl 4-{2-[(6-methyl-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C22 H18 N4 O4 S3 |
| Smiles: | CN1C(=NC2=C(C1=O)SC(N2c1ccccc1)=S)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4997 |
| logD: | 3.4996 |
| logSw: | -3.8714 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.926 |
| InChI Key: | OZAFYSXUARRZNV-UHFFFAOYSA-N |