methyl (4-{(3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-fluorobenzene-1-sulfonyl)[(2-fluorophenyl)methyl]amino}phenyl)acetate
Chemical Structure Depiction of
methyl (4-{(3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-fluorobenzene-1-sulfonyl)[(2-fluorophenyl)methyl]amino}phenyl)acetate
methyl (4-{(3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-fluorobenzene-1-sulfonyl)[(2-fluorophenyl)methyl]amino}phenyl)acetate
Compound characteristics
| Compound ID: | K784-5062 |
| Compound Name: | methyl (4-{(3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-fluorobenzene-1-sulfonyl)[(2-fluorophenyl)methyl]amino}phenyl)acetate |
| Molecular Weight: | 653.02 |
| Molecular Formula: | C30 H22 Cl F5 N2 O5 S |
| Smiles: | COC(Cc1ccc(cc1)N(Cc1ccccc1F)S(c1ccc(c(c1)C(Nc1cc(ccc1[Cl])C(F)(F)F)=O)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9585 |
| logD: | 5.0262 |
| logSw: | -6.3675 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.765 |
| InChI Key: | ZADRUJPGMBYKGF-UHFFFAOYSA-N |