3-{[N-(butan-2-yl)-3-methylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)-3-methylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[N-(butan-2-yl)-3-methylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-1925 |
| Compound Name: | 3-{[N-(butan-2-yl)-3-methylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 421.53 |
| Molecular Formula: | C22 H28 F N O4 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(CC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9709 |
| logD: | 4.9709 |
| logSw: | -4.6921 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.283 |
| InChI Key: | RSZXNCMWNUSBBA-KRWDZBQOSA-N |