4-({[(4-fluorophenyl)methyl](thiophene-2-carbonyl)amino}methyl)phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-({[(4-fluorophenyl)methyl](thiophene-2-carbonyl)amino}methyl)phenyl propane-2-sulfonate
4-({[(4-fluorophenyl)methyl](thiophene-2-carbonyl)amino}methyl)phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V015-9345 |
| Compound Name: | 4-({[(4-fluorophenyl)methyl](thiophene-2-carbonyl)amino}methyl)phenyl propane-2-sulfonate |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C22 H22 F N O4 S2 |
| Smiles: | CC(C)S(=O)(=O)Oc1ccc(CN(Cc2ccc(cc2)F)C(c2cccs2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2898 |
| logD: | 4.2898 |
| logSw: | -4.1846 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.229 |
| InChI Key: | NONZXYHDCSLYKF-UHFFFAOYSA-N |