4-{[3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid
Chemical Structure Depiction of
4-{[3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid
4-{[3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 4386-4722 |
| Compound Name: | 4-{[3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid |
| Molecular Weight: | 339.41 |
| Molecular Formula: | C16 H21 N O5 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(CCC(O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3154 |
| logD: | -0.634 |
| logSw: | -2.5549 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.24 |
| InChI Key: | YQBOXYLARGFHPN-SECBINFHSA-N |