4-{[butyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[butyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
4-{[butyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V005-1425 |
| Compound Name: | 4-{[butyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 422.52 |
| Molecular Formula: | C21 H27 F N2 O4 S |
| Smiles: | CCCCNC(N(Cc1ccc(cc1)OS(c1ccc(cc1)F)(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8586 |
| logD: | 4.8586 |
| logSw: | -4.4584 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.211 |
| InChI Key: | ZARDXSBQKRJOCC-UHFFFAOYSA-N |