2-{[2-methyl-N-(2-methylpropyl)propanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-{[2-methyl-N-(2-methylpropyl)propanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-{[2-methyl-N-(2-methylpropyl)propanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-4008 |
| Compound Name: | 2-{[2-methyl-N-(2-methylpropyl)propanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 457.51 |
| Molecular Formula: | C22 H26 F3 N O4 S |
| Smiles: | CC(C)CN(Cc1ccccc1OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4113 |
| logD: | 5.4113 |
| logSw: | -5.5342 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.569 |
| InChI Key: | QGNYMBJMNPXMIB-UHFFFAOYSA-N |