4-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid
4-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 0988-0093 |
| Compound Name: | 4-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid |
| Molecular Weight: | 323.37 |
| Molecular Formula: | C15 H17 N O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(/C=C/C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.76 |
| logD: | -1.6984 |
| logSw: | -3.0086 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.24 |
| InChI Key: | PYNITJGYUNEGPQ-UHFFFAOYSA-N |