methyl 4-(2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | M109-0713 |
| Compound Name: | methyl 4-(2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C24 H22 N4 O4 S2 |
| Smiles: | CCN1C(=Nc2c(c3ccc(C)cc3)nsc2C1=O)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6462 |
| logD: | 4.6461 |
| logSw: | -4.2999 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.829 |
| InChI Key: | CSMBDLLQYLFWOF-UHFFFAOYSA-N |