4-chloro-2-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
4-chloro-2-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-4865 |
| Compound Name: | 4-chloro-2-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 427.92 |
| Molecular Formula: | C20 H23 Cl F N O4 S |
| Smiles: | CC(C)C(N(Cc1cc(ccc1OS(c1ccc(cc1)F)(=O)=O)[Cl])C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9141 |
| logD: | 4.9141 |
| logSw: | -4.9176 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.313 |
| InChI Key: | XXJCSPWDDTXCGK-UHFFFAOYSA-N |