ethyl 5-{[4-(dimethylamino)phenyl]methylidene}-2-(3-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[4-(dimethylamino)phenyl]methylidene}-2-(3-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-{[4-(dimethylamino)phenyl]methylidene}-2-(3-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V002-2143 |
| Compound Name: | ethyl 5-{[4-(dimethylamino)phenyl]methylidene}-2-(3-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C22 H21 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2cccc(c2)[N+]([O-])=O)SC(=C\c2ccc(cc2)N(C)C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1402 |
| logD: | 4.0513 |
| logSw: | -5.0593 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.303 |
| InChI Key: | SYABPNZPGZEKBZ-UHFFFAOYSA-N |