4-({N-[(furan-2-yl)methyl]heptanamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({N-[(furan-2-yl)methyl]heptanamido}methyl)phenyl ethanesulfonate
4-({N-[(furan-2-yl)methyl]heptanamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V006-8197 |
| Compound Name: | 4-({N-[(furan-2-yl)methyl]heptanamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 407.53 |
| Molecular Formula: | C21 H29 N O5 S |
| Smiles: | CCCCCCC(N(Cc1ccc(cc1)OS(CC)(=O)=O)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2828 |
| logD: | 4.2828 |
| logSw: | -4.2716 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.779 |
| InChI Key: | JUCUOIVGTXPXMQ-UHFFFAOYSA-N |