methyl 4-(2-{[5-(4-bromo-3-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[5-(4-bromo-3-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[5-(4-bromo-3-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G605-0044 |
| Compound Name: | methyl 4-(2-{[5-(4-bromo-3-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 552.42 |
| Molecular Formula: | C21 H18 Br N3 O6 S2 |
| Smiles: | Cc1cc(ccc1[Br])S(C1=CN=C(NC1=O)SCC(Nc1ccc(cc1)C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1855 |
| logD: | 1.5438 |
| logSw: | -3.5239 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.314 |
| InChI Key: | YQESZFABOHZCDM-UHFFFAOYSA-N |