3-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-1621 |
| Compound Name: | 3-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 490.98 |
| Molecular Formula: | C24 H24 Cl F N2 O4 S |
| Smiles: | CCNC(N(Cc1ccc(cc1)F)Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6706 |
| logD: | 4.6706 |
| logSw: | -4.8759 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.98 |
| InChI Key: | NYYVZKBVNRDERI-UHFFFAOYSA-N |