3-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl propane-2-sulfonate
Chemical Structure Depiction of
3-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl propane-2-sulfonate
3-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V001-0264 |
| Compound Name: | 3-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl propane-2-sulfonate |
| Molecular Weight: | 459.51 |
| Molecular Formula: | C24 H23 F2 N O4 S |
| Smiles: | CC(C)S(=O)(=O)Oc1cccc(CN(Cc2ccc(cc2)F)C(c2cccc(c2)F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2341 |
| logD: | 4.2341 |
| logSw: | -4.3389 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.211 |
| InChI Key: | CCTTZBMLTMKMQZ-UHFFFAOYSA-N |