2-{[2-methyl-N-(2-methylpropyl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[2-methyl-N-(2-methylpropyl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
2-{[2-methyl-N-(2-methylpropyl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V009-3188 |
| Compound Name: | 2-{[2-methyl-N-(2-methylpropyl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 407.5 |
| Molecular Formula: | C21 H26 F N O4 S |
| Smiles: | CC(C)CN(Cc1ccccc1OS(c1ccc(cc1)F)(=O)=O)C(C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7591 |
| logD: | 4.7591 |
| logSw: | -4.5304 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.569 |
| InChI Key: | IWBNANZWKOCSPJ-UHFFFAOYSA-N |