dimethyl 2-[3-(3-nitrophenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[3-(3-nitrophenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
dimethyl 2-[3-(3-nitrophenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Compound characteristics
| Compound ID: | 2798-0886 |
| Compound Name: | dimethyl 2-[3-(3-nitrophenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate |
| Molecular Weight: | 430.43 |
| Molecular Formula: | C20 H18 N2 O7 S |
| Smiles: | COC(C1CCc2c1c(C(=O)OC)c(NC(/C=C/c1cccc(c1)[N+]([O-])=O)=O)s2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6678 |
| logD: | 1.9796 |
| logSw: | -4.2164 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.926 |
| InChI Key: | VTHYDVMQCWLZEO-ZDUSSCGKSA-N |