5-{[(2,4-dimethylphenyl)-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-{[(2,4-dimethylphenyl)-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-{[(2,4-dimethylphenyl)-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V001-3580 |
| Compound Name: | 5-{[(2,4-dimethylphenyl)-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 564.62 |
| Molecular Formula: | C28 H31 F3 N2 O5 S |
| Smiles: | CC(C)CN(Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)C(Nc1ccc(C)cc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5551 |
| logD: | 6.5551 |
| logSw: | -5.7129 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.051 |
| InChI Key: | SVOBXRCESULPMN-UHFFFAOYSA-N |