methyl 2-(3,4-dichloroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3,4-dichloroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(3,4-dichloroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y010-0637 |
| Compound Name: | methyl 2-(3,4-dichloroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 318.18 |
| Molecular Formula: | C12 H9 Cl2 N O3 S |
| Smiles: | COC(C1=C(Nc2ccc(c(c2)[Cl])[Cl])SCC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7496 |
| logD: | 0.5627 |
| logSw: | -3.9525 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.91 |
| InChI Key: | VMCYDVUJFSLLHB-UHFFFAOYSA-N |