methyl 4-cyano-3-methyl-5-[2-(phenylsulfanyl)acetamido]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 4-cyano-3-methyl-5-[2-(phenylsulfanyl)acetamido]thiophene-2-carboxylate
methyl 4-cyano-3-methyl-5-[2-(phenylsulfanyl)acetamido]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y205-6189 |
| Compound Name: | methyl 4-cyano-3-methyl-5-[2-(phenylsulfanyl)acetamido]thiophene-2-carboxylate |
| Molecular Weight: | 346.42 |
| Molecular Formula: | C16 H14 N2 O3 S2 |
| Smiles: | Cc1c(C#N)c(NC(CSc2ccccc2)=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9998 |
| logD: | 1.9854 |
| logSw: | -3.3782 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.141 |
| InChI Key: | GTYAPUYNMGFZIZ-UHFFFAOYSA-N |