4-[(tert-butyl-N-cyclopropylcarbamamido)methyl]phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
4-[(tert-butyl-N-cyclopropylcarbamamido)methyl]phenyl 3-(trifluoromethyl)benzene-1-sulfonate
4-[(tert-butyl-N-cyclopropylcarbamamido)methyl]phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-9214 |
| Compound Name: | 4-[(tert-butyl-N-cyclopropylcarbamamido)methyl]phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 470.51 |
| Molecular Formula: | C22 H25 F3 N2 O4 S |
| Smiles: | CC(C)(C)NC(N(Cc1ccc(cc1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9829 |
| logD: | 4.9827 |
| logSw: | -4.6969 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.753 |
| InChI Key: | VYYQCFYQIHMTRT-UHFFFAOYSA-N |