3-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
3-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-1558 |
| Compound Name: | 3-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 488.55 |
| Molecular Formula: | C25 H26 F2 N2 O4 S |
| Smiles: | CC(C)(C)NC(N(Cc1ccc(cc1)F)Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1633 |
| logD: | 5.1633 |
| logSw: | -5.1361 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.178 |
| InChI Key: | YUEAXPSDCSTHTQ-UHFFFAOYSA-N |