methyl 4-(3-methylphenyl)-2-[3-(4-nitrophenyl)prop-2-enamido]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 4-(3-methylphenyl)-2-[3-(4-nitrophenyl)prop-2-enamido]thiophene-3-carboxylate
methyl 4-(3-methylphenyl)-2-[3-(4-nitrophenyl)prop-2-enamido]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y509-0345 |
| Compound Name: | methyl 4-(3-methylphenyl)-2-[3-(4-nitrophenyl)prop-2-enamido]thiophene-3-carboxylate |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C22 H18 N2 O5 S |
| Smiles: | Cc1cccc(c1)c1csc(c1C(=O)OC)NC(/C=C/c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3038 |
| logD: | 5.2885 |
| logSw: | -5.5195 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.194 |
| InChI Key: | RYZFIIWGTAMQIQ-UHFFFAOYSA-N |