propan-2-yl 4-cyano-5-(3,5-dimethylbenzamido)-3-methylthiophene-2-carboxylate
Chemical Structure Depiction of
propan-2-yl 4-cyano-5-(3,5-dimethylbenzamido)-3-methylthiophene-2-carboxylate
propan-2-yl 4-cyano-5-(3,5-dimethylbenzamido)-3-methylthiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y205-0289 |
| Compound Name: | propan-2-yl 4-cyano-5-(3,5-dimethylbenzamido)-3-methylthiophene-2-carboxylate |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C19 H20 N2 O3 S |
| Smiles: | CC(C)OC(c1c(C)c(C#N)c(NC(c2cc(C)cc(C)c2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3365 |
| logD: | 0.8342 |
| logSw: | -4.3335 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.613 |
| InChI Key: | STGNMQXRYHYAOC-UHFFFAOYSA-N |