3-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]phenyl 4-fluorobenzene-1-sulfonate
3-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V001-7861 |
| Compound Name: | 3-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 419.51 |
| Molecular Formula: | C22 H26 F N O4 S |
| Smiles: | CC(C)(C)CC(N(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8228 |
| logD: | 4.8228 |
| logSw: | -4.7612 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.259 |
| InChI Key: | WFYUVBCEMHXCRO-UHFFFAOYSA-N |