4-({[(furan-2-yl)methyl](4-methylbenzene-1-sulfonyl)amino}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({[(furan-2-yl)methyl](4-methylbenzene-1-sulfonyl)amino}methyl)phenyl ethanesulfonate
4-({[(furan-2-yl)methyl](4-methylbenzene-1-sulfonyl)amino}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V013-0004 |
| Compound Name: | 4-({[(furan-2-yl)methyl](4-methylbenzene-1-sulfonyl)amino}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 449.54 |
| Molecular Formula: | C21 H23 N O6 S2 |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)S(c2ccc(C)cc2)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9979 |
| logD: | 3.9979 |
| logSw: | -3.93 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 74.2 |
| InChI Key: | FNDOBQFQLBYZAZ-UHFFFAOYSA-N |