5-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
5-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
5-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-4308 |
| Compound Name: | 5-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 503.56 |
| Molecular Formula: | C26 H27 F2 N O5 S |
| Smiles: | CC(C)CC(N(Cc1ccc(cc1)F)Cc1ccc(c(c1)OS(c1ccc(cc1)F)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7864 |
| logD: | 4.7864 |
| logSw: | -4.6672 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.401 |
| InChI Key: | PJXUOQXEIZBKTG-UHFFFAOYSA-N |