methyl 5-amino-6-cyano-2-methyl-7-[2-(trifluoromethyl)phenyl]-7H-thieno[3,2-b]pyran-3-carboxylate
Chemical Structure Depiction of
methyl 5-amino-6-cyano-2-methyl-7-[2-(trifluoromethyl)phenyl]-7H-thieno[3,2-b]pyran-3-carboxylate
methyl 5-amino-6-cyano-2-methyl-7-[2-(trifluoromethyl)phenyl]-7H-thieno[3,2-b]pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8016-3781 |
| Compound Name: | methyl 5-amino-6-cyano-2-methyl-7-[2-(trifluoromethyl)phenyl]-7H-thieno[3,2-b]pyran-3-carboxylate |
| Molecular Weight: | 394.37 |
| Molecular Formula: | C18 H13 F3 N2 O3 S |
| Smiles: | Cc1c(C(=O)OC)c2c(C(C(C#N)=C(N)O2)c2ccccc2C(F)(F)F)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8877 |
| logD: | 3.8877 |
| logSw: | -4.4629 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.17 |
| InChI Key: | BVFKYZQRWSSXAR-ZDUSSCGKSA-N |