2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-3932 |
| Compound Name: | 2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 444.47 |
| Molecular Formula: | C20 H23 F3 N2 O4 S |
| Smiles: | CCNC(N(Cc1ccccc1OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5006 |
| logD: | 4.5006 |
| logSw: | -4.2975 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.082 |
| InChI Key: | SJJFZDDRJWGBEQ-UHFFFAOYSA-N |