ethyl 2-[(3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-1-benzopyran-2-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-1-benzopyran-2-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-1-benzopyran-2-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2432-4468 |
| Compound Name: | ethyl 2-[(3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-1-benzopyran-2-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 540.56 |
| Molecular Formula: | C28 H23 F3 N2 O4 S |
| Smiles: | CCOC(c1c2CCCCc2sc1/N=C1/C(=Cc2ccccc2O1)C(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8625 |
| logD: | 6.8406 |
| logSw: | -5.8142 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.505 |
| InChI Key: | MYNZZUIBJORCSE-UHFFFAOYSA-N |