3-{[(3-cyanophenyl)-N-(2-methoxyethyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[(3-cyanophenyl)-N-(2-methoxyethyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[(3-cyanophenyl)-N-(2-methoxyethyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V011-3793 |
| Compound Name: | 3-{[(3-cyanophenyl)-N-(2-methoxyethyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 483.52 |
| Molecular Formula: | C24 H22 F N3 O5 S |
| Smiles: | COCCN(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(Nc1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8541 |
| logD: | 3.8541 |
| logSw: | -4.0044 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.409 |
| InChI Key: | VZAGDSPPBQERFP-UHFFFAOYSA-N |