4-{[(4-fluorobenzene-1-sulfonyl)(3-methylbutyl)amino]methyl}phenyl methanesulfonate
Chemical Structure Depiction of
4-{[(4-fluorobenzene-1-sulfonyl)(3-methylbutyl)amino]methyl}phenyl methanesulfonate
4-{[(4-fluorobenzene-1-sulfonyl)(3-methylbutyl)amino]methyl}phenyl methanesulfonate
Compound characteristics
| Compound ID: | V012-1128 |
| Compound Name: | 4-{[(4-fluorobenzene-1-sulfonyl)(3-methylbutyl)amino]methyl}phenyl methanesulfonate |
| Molecular Weight: | 429.53 |
| Molecular Formula: | C19 H24 F N O5 S2 |
| Smiles: | CC(C)CCN(Cc1ccc(cc1)OS(C)(=O)=O)S(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0499 |
| logD: | 4.0499 |
| logSw: | -3.981 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.741 |
| InChI Key: | NCXVUACBQRGOLW-UHFFFAOYSA-N |