dimethyl 3-methyl-5-[3-(3-nitrophenyl)prop-2-enamido]thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 3-methyl-5-[3-(3-nitrophenyl)prop-2-enamido]thiophene-2,4-dicarboxylate
dimethyl 3-methyl-5-[3-(3-nitrophenyl)prop-2-enamido]thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | Y503-0847 |
| Compound Name: | dimethyl 3-methyl-5-[3-(3-nitrophenyl)prop-2-enamido]thiophene-2,4-dicarboxylate |
| Molecular Weight: | 404.4 |
| Molecular Formula: | C18 H16 N2 O7 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(/C=C/c2cccc(c2)[N+]([O-])=O)=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5058 |
| logD: | 1.5066 |
| logSw: | -4.006 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.64 |
| InChI Key: | GOEKMFPWDNLBET-UHFFFAOYSA-N |