4-{[3-(ethoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid
Chemical Structure Depiction of
4-{[3-(ethoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid
4-{[3-(ethoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | Y200-4095 |
| Compound Name: | 4-{[3-(ethoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C21 H23 N O5 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(CCC(O)=O)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.487 |
| logD: | 0.5376 |
| logSw: | -3.7714 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.969 |
| InChI Key: | DPMDVBPFGRRCGG-CQSZACIVSA-N |