4-{[6-benzyl-3-(ethoxycarbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]amino}-4-oxobut-2-enoic acid

Chemical Structure Depiction of
4-{[6-benzyl-3-(ethoxycarbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]amino}-4-oxobut-2-enoic acid
Available: 302 mg
Amount:
mg
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Compound characteristics

Compound ID: 5679-0017
Compound Name: 4-{[6-benzyl-3-(ethoxycarbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]amino}-4-oxobut-2-enoic acid
Molecular Weight: 414.48
Molecular Formula: C21 H22 N2 O5 S
Smiles: CCOC(c1c2CCN(Cc3ccccc3)Cc2sc1NC(/C=C/C(O)=O)=O)=O
Stereo: ACHIRAL
logP: 3.1497
logD: -1.7222
logSw: -3.3551
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 2
Polar surface area: 75.714
InChI Key: QUWAIYAGJNTNHP-UHFFFAOYSA-N
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