5-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-6754 |
| Compound Name: | 5-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 488.53 |
| Molecular Formula: | C22 H27 F3 N2 O5 S |
| Smiles: | CCNC(N(CC(C)C)Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.303 |
| logD: | 4.303 |
| logSw: | -4.3498 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.968 |
| InChI Key: | FYCCIBCQIZSSDC-UHFFFAOYSA-N |