2-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
2-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V011-8312 |
| Compound Name: | 2-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 473.54 |
| Molecular Formula: | C25 H25 F2 N O4 S |
| Smiles: | CC(C)CC(N(Cc1ccc(cc1)F)Cc1ccccc1OS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2871 |
| logD: | 5.2871 |
| logSw: | -5.2811 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.77 |
| InChI Key: | JORSGJHIMUCTOO-UHFFFAOYSA-N |