4-({N-[(furan-2-yl)methyl](2-methylphenyl)carbamamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({N-[(furan-2-yl)methyl](2-methylphenyl)carbamamido}methyl)phenyl ethanesulfonate
4-({N-[(furan-2-yl)methyl](2-methylphenyl)carbamamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V011-2082 |
| Compound Name: | 4-({N-[(furan-2-yl)methyl](2-methylphenyl)carbamamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C22 H24 N2 O5 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(Nc2ccccc2C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7767 |
| logD: | 3.7767 |
| logSw: | -3.7715 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.158 |
| InChI Key: | UORNQAMCKWHYST-UHFFFAOYSA-N |