4-{[3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]amino}-4-oxobutanoic acid
Chemical Structure Depiction of
4-{[3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]amino}-4-oxobutanoic acid
4-{[3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]amino}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 6049-1078 |
| Compound Name: | 4-{[3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]amino}-4-oxobutanoic acid |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C17 H23 N O5 S |
| Smiles: | CCOC(c1c2CCCCCCc2sc1NC(CCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8732 |
| logD: | -0.0762 |
| logSw: | -3.2872 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.571 |
| InChI Key: | WSUNAFGFKQEHAA-UHFFFAOYSA-N |