4-chloro-2-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
4-chloro-2-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4741 |
| Compound Name: | 4-chloro-2-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 442.94 |
| Molecular Formula: | C20 H24 Cl F N2 O4 S |
| Smiles: | CCNC(N(CC(C)C)Cc1cc(ccc1OS(c1ccc(cc1)F)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7161 |
| logD: | 4.7161 |
| logSw: | -4.7882 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.338 |
| InChI Key: | WFHVSTMVUDRGHO-UHFFFAOYSA-N |