2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-6-methoxy-N-[3-(trifluoromethyl)phenyl]-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-6-methoxy-N-[3-(trifluoromethyl)phenyl]-2H-1-benzopyran-3-carboxamide
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-6-methoxy-N-[3-(trifluoromethyl)phenyl]-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 2432-4486 |
| Compound Name: | 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-6-methoxy-N-[3-(trifluoromethyl)phenyl]-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 523.53 |
| Molecular Formula: | C27 H20 F3 N3 O3 S |
| Smiles: | COc1ccc2c(C=C(/C(=N/c3c(C#N)c4CCCCc4s3)O2)C(Nc2cccc(c2)C(F)(F)F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.4047 |
| logD: | 6.3828 |
| logSw: | -5.8292 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.351 |
| InChI Key: | BEKZFNUEGSITNK-UHFFFAOYSA-N |