methyl 2-(2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F092-0306 |
| Compound Name: | methyl 2-(2-{[3-(2-methylphenyl)-7-oxo-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: | Cc1ccccc1N1C2=C(C(NC(=N2)SCC(Nc2ccccc2C(=O)OC)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.4386 |
| logD: | 3.4303 |
| logSw: | -3.9305 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.62 |
| InChI Key: | DPVCJBKMXHKBDE-UHFFFAOYSA-N |