ethyl 5-({3-chloro-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-({3-chloro-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-({3-chloro-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5648-3131 |
| Compound Name: | ethyl 5-({3-chloro-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 481.95 |
| Molecular Formula: | C25 H20 Cl N O5 S |
| Smiles: | CCOC(C1=C(NC(c2ccc(C)cc2)=O)SC(=C/c2ccc(c(c2)[Cl])OCC#C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3051 |
| logD: | 2.3493 |
| logSw: | -6.0275 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.8 |
| InChI Key: | BGMSXWGWYKHPJJ-UHFFFAOYSA-N |