ethyl 4-({(3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-fluorobenzene-1-sulfonyl)[(4-fluorophenyl)methyl]amino}methyl)benzoate
Chemical Structure Depiction of
ethyl 4-({(3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-fluorobenzene-1-sulfonyl)[(4-fluorophenyl)methyl]amino}methyl)benzoate
ethyl 4-({(3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-fluorobenzene-1-sulfonyl)[(4-fluorophenyl)methyl]amino}methyl)benzoate
Compound characteristics
| Compound ID: | K783-3627 |
| Compound Name: | ethyl 4-({(3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-fluorobenzene-1-sulfonyl)[(4-fluorophenyl)methyl]amino}methyl)benzoate |
| Molecular Weight: | 667.05 |
| Molecular Formula: | C31 H24 Cl F5 N2 O5 S |
| Smiles: | CCOC(c1ccc(CN(Cc2ccc(cc2)F)S(c2ccc(c(c2)C(Nc2cc(ccc2[Cl])C(F)(F)F)=O)F)(=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8243 |
| logD: | 5.7425 |
| logSw: | -6.5509 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.489 |
| InChI Key: | IGGGHMQHMZNRSG-UHFFFAOYSA-N |