3-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-3375 |
| Compound Name: | 3-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 505.01 |
| Molecular Formula: | C25 H26 Cl F N2 O4 S |
| Smiles: | CC(C)NC(N(Cc1ccc(cc1)F)Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2625 |
| logD: | 5.2625 |
| logSw: | -5.8255 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.328 |
| InChI Key: | JEFPGOHJAAYSSR-UHFFFAOYSA-N |