4-{[5-(ethoxycarbonyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoic acid--hydrogen chloride (1/1)

Chemical Structure Depiction of
4-{[5-(ethoxycarbonyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoic acid--hydrogen chloride (1/1)
Available: 107 mg
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mg
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Compound characteristics

Compound ID: D278-0138
Compound Name: 4-{[5-(ethoxycarbonyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoic acid--hydrogen chloride (1/1)
Molecular Weight: 369.82
Molecular Formula: C15 H15 N3 O4 S
Salt: HCl
Smiles: CCOC(c1cnc(nc1Nc1ccc(cc1)C(O)=O)SC)=O
Stereo: ACHIRAL
logP: 3.4964
logD: 1.1012
logSw: -3.5728
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 2
Polar surface area: 76.767
InChI Key: PJVAGYIWULXFFI-UHFFFAOYSA-N
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