ethyl 2-benzamido-5-({3-chloro-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-benzamido-5-({3-chloro-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-benzamido-5-({3-chloro-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8015-2334 |
| Compound Name: | ethyl 2-benzamido-5-({3-chloro-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 537.99 |
| Molecular Formula: | C28 H21 Cl F N O5 S |
| Smiles: | CCOC(C1=C(NC(c2ccccc2)=O)SC(=C/c2ccc(c(c2)[Cl])OCc2ccc(cc2)F)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1407 |
| logD: | 3.2851 |
| logSw: | -6.159 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.61 |
| InChI Key: | NSOAVZRCCLGUQM-UHFFFAOYSA-N |