ethyl 2-anilino-4-oxo-5-{[(2-phenylethyl)amino]methylidene}-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-anilino-4-oxo-5-{[(2-phenylethyl)amino]methylidene}-4,5-dihydrothiophene-3-carboxylate
ethyl 2-anilino-4-oxo-5-{[(2-phenylethyl)amino]methylidene}-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3533-0005 |
| Compound Name: | ethyl 2-anilino-4-oxo-5-{[(2-phenylethyl)amino]methylidene}-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C22 H22 N2 O3 S |
| Smiles: | CCOC(C1=C(Nc2ccccc2)SC(=C/NCCc2ccccc2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8635 |
| logD: | 3.8527 |
| logSw: | -3.8942 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.091 |
| InChI Key: | IXYMADGFSMLOSJ-UHFFFAOYSA-N |