3-{[N-cyclopropyl(phenyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-cyclopropyl(phenyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[N-cyclopropyl(phenyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V006-7954 |
| Compound Name: | 3-{[N-cyclopropyl(phenyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 440.49 |
| Molecular Formula: | C23 H21 F N2 O4 S |
| Smiles: | C1CC1N(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5147 |
| logD: | 4.5147 |
| logSw: | -4.409 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.336 |
| InChI Key: | BITHVDYSBBMBRZ-UHFFFAOYSA-N |