4-[(6-tert-butyl-3-{[2-(trifluoromethyl)phenyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[(6-tert-butyl-3-{[2-(trifluoromethyl)phenyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid
4-[(6-tert-butyl-3-{[2-(trifluoromethyl)phenyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 4488-2005 |
| Compound Name: | 4-[(6-tert-butyl-3-{[2-(trifluoromethyl)phenyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid |
| Molecular Weight: | 496.55 |
| Molecular Formula: | C24 H27 F3 N2 O4 S |
| Smiles: | CC(C)(C)C1CCc2c(C(Nc3ccccc3C(F)(F)F)=O)c(NC(CCC(O)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0548 |
| logD: | 2.1054 |
| logSw: | -4.5505 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.88 |
| InChI Key: | UKSQKFQRBFZICP-ZDUSSCGKSA-N |