4-({N-[(furan-2-yl)methyl]-4-methylbenzamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({N-[(furan-2-yl)methyl]-4-methylbenzamido}methyl)phenyl ethanesulfonate
4-({N-[(furan-2-yl)methyl]-4-methylbenzamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V006-8208 |
| Compound Name: | 4-({N-[(furan-2-yl)methyl]-4-methylbenzamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C22 H23 N O5 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(c2ccc(C)cc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6112 |
| logD: | 3.6112 |
| logSw: | -3.5699 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.035 |
| InChI Key: | BUQMYLMJDCMGSX-UHFFFAOYSA-N |