methyl 2-(2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)-5-chlorobenzoate
Chemical Structure Depiction of
methyl 2-(2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)-5-chlorobenzoate
methyl 2-(2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)-5-chlorobenzoate
Compound characteristics
| Compound ID: | C200-5324 |
| Compound Name: | methyl 2-(2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)-5-chlorobenzoate |
| Molecular Weight: | 572.84 |
| Molecular Formula: | C20 H15 Br Cl N3 O6 S2 |
| Smiles: | COC(c1cc(ccc1NC(CSC1NC(C(=CN=1)S(c1ccc(cc1)[Br])(=O)=O)=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3154 |
| logD: | 1.6736 |
| logSw: | -3.776 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.616 |
| InChI Key: | MKAQGGDTEQLZTB-UHFFFAOYSA-N |