2-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
2-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-6838 |
| Compound Name: | 2-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 503.56 |
| Molecular Formula: | C26 H27 F2 N O5 S |
| Smiles: | CC(C)CC(N(Cc1ccc(cc1)F)Cc1ccccc1OS(c1ccc(c(c1)F)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2134 |
| logD: | 5.2134 |
| logSw: | -5.0503 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.401 |
| InChI Key: | OOZQQYQVWKFZHL-UHFFFAOYSA-N |