methyl 5-(dimethylcarbamoyl)-2-(3,5-dinitrobenzamido)-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-(dimethylcarbamoyl)-2-(3,5-dinitrobenzamido)-4-methylthiophene-3-carboxylate
methyl 5-(dimethylcarbamoyl)-2-(3,5-dinitrobenzamido)-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-9998 |
| Compound Name: | methyl 5-(dimethylcarbamoyl)-2-(3,5-dinitrobenzamido)-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 436.4 |
| Molecular Formula: | C17 H16 N4 O8 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=O)sc1C(N(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8122 |
| logD: | -3.5065 |
| logSw: | -2.6601 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 127.062 |
| InChI Key: | YYPVABDGMQUVIT-UHFFFAOYSA-N |