methyl 2-(2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | C716-0602 |
| Compound Name: | methyl 2-(2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 538.39 |
| Molecular Formula: | C20 H16 Br N3 O6 S2 |
| Smiles: | COC(c1ccccc1NC(CSC1NC(C(=CN=1)S(c1ccc(cc1)[Br])(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.577 |
| logD: | 0.9352 |
| logSw: | -3.2161 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.616 |
| InChI Key: | ZTZGHIHYVPDDFA-UHFFFAOYSA-N |