diethyl 5-{2-[1-(3-methoxyanilino)-3-(4-nitrophenyl)-1,3-dioxopropan-2-ylidene]hydrazinyl}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-{2-[1-(3-methoxyanilino)-3-(4-nitrophenyl)-1,3-dioxopropan-2-ylidene]hydrazinyl}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-{2-[1-(3-methoxyanilino)-3-(4-nitrophenyl)-1,3-dioxopropan-2-ylidene]hydrazinyl}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 1313-0649 |
| Compound Name: | diethyl 5-{2-[1-(3-methoxyanilino)-3-(4-nitrophenyl)-1,3-dioxopropan-2-ylidene]hydrazinyl}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 582.59 |
| Molecular Formula: | C27 H26 N4 O9 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1N/N=C(/C(c1ccc(cc1)[N+]([O-])=O)=O)C(Nc1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5415 |
| logD: | 4.2832 |
| logSw: | -5.5149 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 139.951 |
| InChI Key: | RQWDZYCRPCLEQE-UHFFFAOYSA-N |