3-({N-[(4-fluorophenyl)methyl]-2-methylpropanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-({N-[(4-fluorophenyl)methyl]-2-methylpropanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-({N-[(4-fluorophenyl)methyl]-2-methylpropanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-1561 |
| Compound Name: | 3-({N-[(4-fluorophenyl)methyl]-2-methylpropanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 489.99 |
| Molecular Formula: | C25 H25 Cl F N O4 S |
| Smiles: | CC(C)C(N(Cc1ccc(cc1)F)Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2778 |
| logD: | 5.2778 |
| logSw: | -5.8497 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.211 |
| InChI Key: | MCGZAECGJQCGNF-UHFFFAOYSA-N |