4-({(cyclohexanecarbonyl)[(furan-2-yl)methyl]amino}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({(cyclohexanecarbonyl)[(furan-2-yl)methyl]amino}methyl)phenyl ethanesulfonate
4-({(cyclohexanecarbonyl)[(furan-2-yl)methyl]amino}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V016-9710 |
| Compound Name: | 4-({(cyclohexanecarbonyl)[(furan-2-yl)methyl]amino}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 405.51 |
| Molecular Formula: | C21 H27 N O5 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(C2CCCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7927 |
| logD: | 3.7927 |
| logSw: | -3.7461 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.228 |
| InChI Key: | DZXQLONHCWWFQE-UHFFFAOYSA-N |