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