4-oxo-4-{[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}butanoic acid
Chemical Structure Depiction of
4-oxo-4-{[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}butanoic acid
4-oxo-4-{[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}butanoic acid
Compound characteristics
| Compound ID: | 6049-1642 |
| Compound Name: | 4-oxo-4-{[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}butanoic acid |
| Molecular Weight: | 339.41 |
| Molecular Formula: | C16 H21 N O5 S |
| Smiles: | CCCOC(c1c2CCCCc2sc1NC(CCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3932 |
| logD: | -0.5562 |
| logSw: | -2.5663 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.534 |
| InChI Key: | CCDXNEBLNWODQG-UHFFFAOYSA-N |