3-[(N-cyclopropyl-2,2-dimethylpropanamido)methyl]phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-[(N-cyclopropyl-2,2-dimethylpropanamido)methyl]phenyl 4-fluorobenzene-1-sulfonate
3-[(N-cyclopropyl-2,2-dimethylpropanamido)methyl]phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V006-5779 |
| Compound Name: | 3-[(N-cyclopropyl-2,2-dimethylpropanamido)methyl]phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 405.49 |
| Molecular Formula: | C21 H24 F N O4 S |
| Smiles: | CC(C)(C)C(N(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3528 |
| logD: | 4.3528 |
| logSw: | -4.4266 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.787 |
| InChI Key: | KHLLGINJBVTOLF-UHFFFAOYSA-N |