3-({(2,6-dichlorophenyl)-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
3-({(2,6-dichlorophenyl)-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
3-({(2,6-dichlorophenyl)-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V003-1213 |
| Compound Name: | 3-({(2,6-dichlorophenyl)-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 599.41 |
| Molecular Formula: | C26 H19 Cl2 F3 N2 O5 S |
| Smiles: | C(c1cccc(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)N(Cc1ccco1)C(Nc1c(cccc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.0412 |
| logD: | 7.0409 |
| logSw: | -6.7002 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.113 |
| InChI Key: | DKRKTRYEBAUZCU-UHFFFAOYSA-N |