5-(2-{[4-amino-5-(ethoxycarbonyl)pyrimidin-2-yl]sulfanyl}acetamido)-2-chlorobenzoic acid
Chemical Structure Depiction of
5-(2-{[4-amino-5-(ethoxycarbonyl)pyrimidin-2-yl]sulfanyl}acetamido)-2-chlorobenzoic acid
5-(2-{[4-amino-5-(ethoxycarbonyl)pyrimidin-2-yl]sulfanyl}acetamido)-2-chlorobenzoic acid
Compound characteristics
Compound ID: | D133-0057 |
Compound Name: | 5-(2-{[4-amino-5-(ethoxycarbonyl)pyrimidin-2-yl]sulfanyl}acetamido)-2-chlorobenzoic acid |
Molecular Weight: | 410.83 |
Molecular Formula: | C16 H15 Cl N4 O5 S |
Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1ccc(c(c1)C(O)=O)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 2.6137 |
logD: | -1.1894 |
logSw: | -3.356 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 110.79 |
InChI Key: | PEMARKXMPCXFOE-UHFFFAOYSA-N |