2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-3967 |
| Compound Name: | 2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 457.51 |
| Molecular Formula: | C22 H26 F3 N O4 S |
| Smiles: | CC(C)CC(N(Cc1ccccc1OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4033 |
| logD: | 5.4033 |
| logSw: | -5.5228 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.785 |
| InChI Key: | STKKTDMUNKLCHH-UHFFFAOYSA-N |