4-{[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid
Chemical Structure Depiction of
4-{[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid
4-{[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | C794-0024 |
| Compound Name: | 4-{[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid |
| Molecular Weight: | 311.35 |
| Molecular Formula: | C14 H17 N O5 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(CCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4991 |
| logD: | -1.4503 |
| logSw: | -1.8172 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.66 |
| InChI Key: | PKDXWVDJPOIGCX-UHFFFAOYSA-N |