propan-2-yl 4-cyano-5-(4-methoxy-3-nitrobenzamido)-3-methylthiophene-2-carboxylate
Chemical Structure Depiction of
propan-2-yl 4-cyano-5-(4-methoxy-3-nitrobenzamido)-3-methylthiophene-2-carboxylate
propan-2-yl 4-cyano-5-(4-methoxy-3-nitrobenzamido)-3-methylthiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y205-5111 |
| Compound Name: | propan-2-yl 4-cyano-5-(4-methoxy-3-nitrobenzamido)-3-methylthiophene-2-carboxylate |
| Molecular Weight: | 403.41 |
| Molecular Formula: | C18 H17 N3 O6 S |
| Smiles: | CC(C)OC(c1c(C)c(C#N)c(NC(c2ccc(c(c2)[N+]([O-])=O)OC)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.985 |
| logD: | -0.2754 |
| logSw: | -3.6003 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.324 |
| InChI Key: | USMLTRRVUSFOMW-UHFFFAOYSA-N |