2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-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]-8-methoxy-N-[3-(trifluoromethyl)phenyl]-2H-1-benzopyran-3-carboxamide
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-N-[3-(trifluoromethyl)phenyl]-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 2432-4487 |
| Compound Name: | 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-N-[3-(trifluoromethyl)phenyl]-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 523.53 |
| Molecular Formula: | C27 H20 F3 N3 O3 S |
| Smiles: | COc1cccc2C=C(/C(=N/c3c(C#N)c4CCCCc4s3)Oc12)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2921 |
| logD: | 6.2701 |
| logSw: | -5.6853 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.122 |
| InChI Key: | GTBZSWFATSGOLN-UHFFFAOYSA-N |