4-({4-chloro-N-[(furan-2-yl)methyl]benzamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({4-chloro-N-[(furan-2-yl)methyl]benzamido}methyl)phenyl ethanesulfonate
4-({4-chloro-N-[(furan-2-yl)methyl]benzamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V012-0158 |
| Compound Name: | 4-({4-chloro-N-[(furan-2-yl)methyl]benzamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 433.91 |
| Molecular Formula: | C21 H20 Cl N O5 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(c2ccc(cc2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7825 |
| logD: | 3.7825 |
| logSw: | -4.374 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.035 |
| InChI Key: | QYTCVMBVENXFPV-UHFFFAOYSA-N |