2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}benzoic acid
Chemical Structure Depiction of
2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}benzoic acid
2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}benzoic acid
Compound characteristics
Compound ID: | 0988-0157 |
Compound Name: | 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}benzoic acid |
Molecular Weight: | 373.43 |
Molecular Formula: | C19 H19 N O5 S |
Smiles: | CCOC(c1c2CCCCc2sc1NC(c1ccccc1C(O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.3937 |
logD: | -1.4009 |
logSw: | -3.8533 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.206 |
InChI Key: | QRKGNIKWFKAJHB-UHFFFAOYSA-N |