methyl 3-(2-{[5-(3-chloro-4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-(2-{[5-(3-chloro-4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)thiophene-2-carboxylate
methyl 3-(2-{[5-(3-chloro-4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | G605-0194 |
| Compound Name: | methyl 3-(2-{[5-(3-chloro-4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)thiophene-2-carboxylate |
| Molecular Weight: | 514 |
| Molecular Formula: | C19 H16 Cl N3 O6 S3 |
| Smiles: | Cc1ccc(cc1[Cl])S(C1=CN=C(NC1=O)SCC(Nc1ccsc1C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4571 |
| logD: | 0.8153 |
| logSw: | -3.3256 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.635 |
| InChI Key: | CUPRLVPOHSXNLI-UHFFFAOYSA-N |