3-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
3-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-9393 |
| Compound Name: | 3-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 474.53 |
| Molecular Formula: | C24 H24 F2 N2 O4 S |
| Smiles: | CC(C)NC(N(Cc1ccc(cc1)F)Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7155 |
| logD: | 4.7155 |
| logSw: | -4.4828 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.328 |
| InChI Key: | TZBCCFLRYDEIEQ-UHFFFAOYSA-N |