4-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl ethanesulfonate
4-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-9845 |
| Compound Name: | 4-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 379.47 |
| Molecular Formula: | C19 H25 N O5 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(CC(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1802 |
| logD: | 3.1802 |
| logSw: | -3.353 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.779 |
| InChI Key: | MQLLGTNANLSOCY-UHFFFAOYSA-N |