4-chloro-2-({2-chloro-N-[(furan-2-yl)methyl]benzamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-chloro-2-({2-chloro-N-[(furan-2-yl)methyl]benzamido}methyl)phenyl ethanesulfonate
4-chloro-2-({2-chloro-N-[(furan-2-yl)methyl]benzamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V027-0469 |
| Compound Name: | 4-chloro-2-({2-chloro-N-[(furan-2-yl)methyl]benzamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 468.35 |
| Molecular Formula: | C21 H19 Cl2 N O5 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(cc1CN(Cc1ccco1)C(c1ccccc1[Cl])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4884 |
| logD: | 4.4884 |
| logSw: | -4.6024 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.122 |
| InChI Key: | HDHZKAHEYRBZIC-UHFFFAOYSA-N |