4-{[(3-cyanophenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[(3-cyanophenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
4-{[(3-cyanophenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-0145 |
| Compound Name: | 4-{[(3-cyanophenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 467.52 |
| Molecular Formula: | C24 H22 F N3 O4 S |
| Smiles: | CC(C)N(Cc1ccc(cc1)OS(c1ccc(cc1)F)(=O)=O)C(Nc1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6615 |
| logD: | 4.6615 |
| logSw: | -4.4052 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.832 |
| InChI Key: | PLJQCJTWVMOGQW-UHFFFAOYSA-N |