4-{[3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]amino}-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-{[3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]amino}-4-oxobut-2-enoic acid
4-{[3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]amino}-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | Y503-0919 |
| Compound Name: | 4-{[3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]amino}-4-oxobut-2-enoic acid |
| Molecular Weight: | 351.42 |
| Molecular Formula: | C17 H21 N O5 S |
| Smiles: | CCOC(c1c2CCCCCCc2sc1NC(/C=C/C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7518 |
| logD: | -0.7065 |
| logSw: | -4.0895 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.571 |
| InChI Key: | UXNZHLIFDKYDMV-UHFFFAOYSA-N |