4-oxo-4-[(3-{[(propan-2-yl)oxy]carbonyl}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]butanoic acid
Chemical Structure Depiction of
4-oxo-4-[(3-{[(propan-2-yl)oxy]carbonyl}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]butanoic acid
4-oxo-4-[(3-{[(propan-2-yl)oxy]carbonyl}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]butanoic acid
Compound characteristics
| Compound ID: | Y200-5874 |
| Compound Name: | 4-oxo-4-[(3-{[(propan-2-yl)oxy]carbonyl}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]butanoic acid |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C17 H23 N O5 S |
| Smiles: | CC(C)OC(c1c2CCCCCc2sc1NC(CCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8876 |
| logD: | -0.0618 |
| logSw: | -3.3444 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.25 |
| InChI Key: | DMFBRLQAGUGLKY-UHFFFAOYSA-N |