4-({3-chloro-N-[(furan-2-yl)methyl]propanamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({3-chloro-N-[(furan-2-yl)methyl]propanamido}methyl)phenyl ethanesulfonate
4-({3-chloro-N-[(furan-2-yl)methyl]propanamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V012-0115 |
| Compound Name: | 4-({3-chloro-N-[(furan-2-yl)methyl]propanamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 385.86 |
| Molecular Formula: | C17 H20 Cl N O5 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(CC[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4105 |
| logD: | 2.4105 |
| logSw: | -2.5653 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.779 |
| InChI Key: | GJATVTKHUHQYHJ-UHFFFAOYSA-N |