5-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-8072 |
| Compound Name: | 5-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 502.55 |
| Molecular Formula: | C23 H29 F3 N2 O5 S |
| Smiles: | CC(C)N(Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8559 |
| logD: | 4.8558 |
| logSw: | -4.6754 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.91 |
| InChI Key: | ZDWOHSICBWVOPM-UHFFFAOYSA-N |