2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-(3-methoxyphenyl)-4-oxobut-2-enoic acid
Chemical Structure Depiction of
2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-(3-methoxyphenyl)-4-oxobut-2-enoic acid
2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-(3-methoxyphenyl)-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | C301-0632 |
| Compound Name: | 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-(3-methoxyphenyl)-4-oxobut-2-enoic acid |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C22 H23 N O6 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(=C/C(c1cccc(c1)OC)=O)\C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.255 |
| logD: | -0.5278 |
| logSw: | -4.3382 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.652 |
| InChI Key: | KEEBFSIIFRXTCO-UHFFFAOYSA-N |