4-cyano-N,N-diethyl-3-methyl-5-(3-nitrobenzamido)thiophene-2-carboxamide
Chemical Structure Depiction of
4-cyano-N,N-diethyl-3-methyl-5-(3-nitrobenzamido)thiophene-2-carboxamide
4-cyano-N,N-diethyl-3-methyl-5-(3-nitrobenzamido)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y204-3337 |
| Compound Name: | 4-cyano-N,N-diethyl-3-methyl-5-(3-nitrobenzamido)thiophene-2-carboxamide |
| Molecular Weight: | 386.43 |
| Molecular Formula: | C18 H18 N4 O4 S |
| Smiles: | CCN(CC)C(c1c(C)c(C#N)c(NC(c2cccc(c2)[N+]([O-])=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7679 |
| logD: | -0.3831 |
| logSw: | -3.3158 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.494 |
| InChI Key: | TXULQXRZUDMCAT-UHFFFAOYSA-N |