4-({(4-chlorophenyl)-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({(4-chlorophenyl)-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate
4-({(4-chlorophenyl)-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V001-3258 |
| Compound Name: | 4-({(4-chlorophenyl)-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 448.92 |
| Molecular Formula: | C21 H21 Cl N2 O5 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(Nc2ccc(cc2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1805 |
| logD: | 4.1805 |
| logSw: | -4.4437 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.856 |
| InChI Key: | LLKOYEFBFIDYDM-UHFFFAOYSA-N |