5-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-6742 |
| Compound Name: | 5-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 516.58 |
| Molecular Formula: | C24 H31 F3 N2 O5 S |
| Smiles: | CC(C)CN(Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3427 |
| logD: | 5.3426 |
| logSw: | -5.5193 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.166 |
| InChI Key: | UXSCTKOWXCSKDA-UHFFFAOYSA-N |