4-[(N-cyclopropyl-3-methylbutanamido)methyl]phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
4-[(N-cyclopropyl-3-methylbutanamido)methyl]phenyl 3-(trifluoromethyl)benzene-1-sulfonate
4-[(N-cyclopropyl-3-methylbutanamido)methyl]phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V006-4988 |
| Compound Name: | 4-[(N-cyclopropyl-3-methylbutanamido)methyl]phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 455.5 |
| Molecular Formula: | C22 H24 F3 N O4 S |
| Smiles: | CC(C)CC(N(Cc1ccc(cc1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9809 |
| logD: | 4.9809 |
| logSw: | -4.705 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.259 |
| InChI Key: | WFRVNTCESNEHDS-UHFFFAOYSA-N |