methyl 2-(3-chloroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3-chloroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(3-chloroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y010-0636 |
| Compound Name: | methyl 2-(3-chloroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 283.73 |
| Molecular Formula: | C12 H10 Cl N O3 S |
| Smiles: | COC(C1=C(Nc2cccc(c2)[Cl])SCC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0289 |
| logD: | 1.6218 |
| logSw: | -3.3417 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.91 |
| InChI Key: | CHYITTOEASVBPK-UHFFFAOYSA-N |