propan-2-yl 4-(4-fluorophenyl)-5-methyl-2-[3-(5-nitrofuran-2-yl)prop-2-enamido]thiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 4-(4-fluorophenyl)-5-methyl-2-[3-(5-nitrofuran-2-yl)prop-2-enamido]thiophene-3-carboxylate
propan-2-yl 4-(4-fluorophenyl)-5-methyl-2-[3-(5-nitrofuran-2-yl)prop-2-enamido]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-4932 |
| Compound Name: | propan-2-yl 4-(4-fluorophenyl)-5-methyl-2-[3-(5-nitrofuran-2-yl)prop-2-enamido]thiophene-3-carboxylate |
| Molecular Weight: | 458.46 |
| Molecular Formula: | C22 H19 F N2 O6 S |
| Smiles: | CC(C)OC(c1c(c2ccc(cc2)F)c(C)sc1NC(/C=C/c1ccc([N+]([O-])=O)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.401 |
| logD: | 5.2405 |
| logSw: | -5.5071 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.902 |
| InChI Key: | WYXZIOGNGUFVAF-UHFFFAOYSA-N |