methyl 5-benzylidene-2-(3-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-benzylidene-2-(3-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-benzylidene-2-(3-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-9303 |
| Compound Name: | methyl 5-benzylidene-2-(3-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 382.39 |
| Molecular Formula: | C19 H14 N2 O5 S |
| Smiles: | COC(C1=C(Nc2cccc(c2)[N+]([O-])=O)SC(=C\c2ccccc2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4822 |
| logD: | 3.3933 |
| logSw: | -4.4553 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.919 |
| InChI Key: | MNGDGASYLVKSOI-UHFFFAOYSA-N |