4-[(N-cyclopropyl-2-methylpropanamido)methyl]phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
4-[(N-cyclopropyl-2-methylpropanamido)methyl]phenyl 3-(trifluoromethyl)benzene-1-sulfonate
4-[(N-cyclopropyl-2-methylpropanamido)methyl]phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V006-4984 |
| Compound Name: | 4-[(N-cyclopropyl-2-methylpropanamido)methyl]phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 441.47 |
| Molecular Formula: | C21 H22 F3 N O4 S |
| Smiles: | CC(C)C(N(Cc1ccc(cc1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5793 |
| logD: | 4.5793 |
| logSw: | -4.4562 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.787 |
| InChI Key: | KCRNNIAYSNZGDS-UHFFFAOYSA-N |