4-({(2H-1,3-benzodioxole-5-carbonyl)[(furan-2-yl)methyl]amino}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({(2H-1,3-benzodioxole-5-carbonyl)[(furan-2-yl)methyl]amino}methyl)phenyl ethanesulfonate
4-({(2H-1,3-benzodioxole-5-carbonyl)[(furan-2-yl)methyl]amino}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V028-5145 |
| Compound Name: | 4-({(2H-1,3-benzodioxole-5-carbonyl)[(furan-2-yl)methyl]amino}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 443.47 |
| Molecular Formula: | C22 H21 N O7 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(c2ccc3c(c2)OCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0262 |
| logD: | 3.0262 |
| logSw: | -3.3821 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.151 |
| InChI Key: | AZLSTFGUBSIJID-UHFFFAOYSA-N |