2-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate
2-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V024-8040 |
| Compound Name: | 2-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 442.94 |
| Molecular Formula: | C20 H24 Cl F N2 O4 S |
| Smiles: | CCC(C)N(Cc1cc(ccc1OS(c1ccc(cc1)F)(=O)=O)[Cl])C(NCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8772 |
| logD: | 4.8772 |
| logSw: | -4.8198 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.666 |
| InChI Key: | XWPKBXMHTPOBGY-AWEZNQCLSA-N |