6-[2-(4-chloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid
Chemical Structure Depiction of
6-[2-(4-chloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid
6-[2-(4-chloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid
Compound characteristics
| Compound ID: | 8019-7527 |
| Compound Name: | 6-[2-(4-chloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid |
| Molecular Weight: | 328.77 |
| Molecular Formula: | C13 H13 Cl N2 O4 S |
| Smiles: | C(C1C(NC(CS1)C(O)=O)=O)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.2632 |
| logD: | -4.0917 |
| logSw: | -2.2972 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.228 |
| InChI Key: | XHIBXYFJOKKPNO-UHFFFAOYSA-N |