2-methoxy-5-{[2-methyl-N-(2-methylpropyl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-methoxy-5-{[2-methyl-N-(2-methylpropyl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
2-methoxy-5-{[2-methyl-N-(2-methylpropyl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-0689 |
| Compound Name: | 2-methoxy-5-{[2-methyl-N-(2-methylpropyl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 437.53 |
| Molecular Formula: | C22 H28 F N O5 S |
| Smiles: | CC(C)CN(Cc1ccc(c(c1)OS(c1ccc(cc1)F)(=O)=O)OC)C(C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2583 |
| logD: | 4.2583 |
| logSw: | -4.3353 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.2 |
| InChI Key: | BEWLNZLACXTHRL-UHFFFAOYSA-N |