ethyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Chemical Structure Depiction of
ethyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Available: 28 mg
Amount:
mg
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Compound characteristics

Compound ID: D054-0259
Compound Name: ethyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Molecular Weight: 425.95
Molecular Formula: C18 H20 Cl N3 O3 S2
Smiles: [H]N(C(c1c(cnc(n1)SCC)[Cl])=O)c1c(C(=O)OCC)c2CCCCc2s1
Stereo: ACHIRAL
logP: 4.8566
logD: 0.0101
logSw: -5.0925
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 1
Polar surface area: 62.384
InChI Key: KEPBJAAYVOVNDW-UHFFFAOYSA-N
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