4-({butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl ethanesulfonate
4-({butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V028-5114 |
| Compound Name: | 4-({butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 422.52 |
| Molecular Formula: | C21 H27 F N2 O4 S |
| Smiles: | CCCCNC(N(Cc1ccc(cc1)OS(CC)(=O)=O)Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0074 |
| logD: | 4.0074 |
| logSw: | -3.8819 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.543 |
| InChI Key: | DTVPOOIEIOYTEI-UHFFFAOYSA-N |