methyl 4-({(3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-fluorobenzene-1-sulfonyl)[(3,4-dimethoxyphenyl)methyl]amino}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({(3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-fluorobenzene-1-sulfonyl)[(3,4-dimethoxyphenyl)methyl]amino}methyl)benzoate
methyl 4-({(3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-fluorobenzene-1-sulfonyl)[(3,4-dimethoxyphenyl)methyl]amino}methyl)benzoate
Compound characteristics
| Compound ID: | K783-3689 |
| Compound Name: | methyl 4-({(3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-fluorobenzene-1-sulfonyl)[(3,4-dimethoxyphenyl)methyl]amino}methyl)benzoate |
| Molecular Weight: | 695.09 |
| Molecular Formula: | C32 H27 Cl F4 N2 O7 S |
| Smiles: | COC(c1ccc(CN(Cc2ccc(c(c2)OC)OC)S(c2ccc(c(c2)C(Nc2cc(ccc2[Cl])C(F)(F)F)=O)F)(=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8576 |
| logD: | 4.7757 |
| logSw: | -6.4488 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.17 |
| InChI Key: | BVDMRVYJWSFREW-UHFFFAOYSA-N |