ethyl 4-({(4-fluoro-3-{[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}benzene-1-sulfonyl)[(4-fluorophenyl)methyl]amino}methyl)benzoate
Chemical Structure Depiction of
ethyl 4-({(4-fluoro-3-{[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}benzene-1-sulfonyl)[(4-fluorophenyl)methyl]amino}methyl)benzoate
ethyl 4-({(4-fluoro-3-{[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}benzene-1-sulfonyl)[(4-fluorophenyl)methyl]amino}methyl)benzoate
Compound characteristics
| Compound ID: | K783-3625 |
| Compound Name: | ethyl 4-({(4-fluoro-3-{[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}benzene-1-sulfonyl)[(4-fluorophenyl)methyl]amino}methyl)benzoate |
| Molecular Weight: | 650.6 |
| Molecular Formula: | C31 H24 F6 N2 O5 S |
| Smiles: | CCOC(c1ccc(CN(Cc2ccc(cc2)F)S(c2ccc(c(c2)C(Nc2cc(cc(c2)F)C(F)(F)F)=O)F)(=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.7318 |
| logD: | 5.656 |
| logSw: | -5.7702 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.187 |
| InChI Key: | UQOGYEDTLMEHDQ-UHFFFAOYSA-N |