4-{[N-(butan-2-yl)(butyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[N-(butan-2-yl)(butyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
4-{[N-(butan-2-yl)(butyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V005-2423 |
| Compound Name: | 4-{[N-(butan-2-yl)(butyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 436.54 |
| Molecular Formula: | C22 H29 F N2 O4 S |
| Smiles: | CCCCNC(N(Cc1ccc(cc1)OS(c1ccc(cc1)F)(=O)=O)C(C)CC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3228 |
| logD: | 5.3228 |
| logSw: | -5.1052 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.795 |
| InChI Key: | KBGSENKZZWDSIJ-KRWDZBQOSA-N |