3-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-1585 |
| Compound Name: | 3-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 504.02 |
| Molecular Formula: | C26 H27 Cl F N O4 S |
| Smiles: | CC(C)CC(N(Cc1ccc(cc1)F)Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6386 |
| logD: | 5.6386 |
| logSw: | -5.9371 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.684 |
| InChI Key: | VTVBZIMPBGRBLX-UHFFFAOYSA-N |