4-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
4-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
4-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V022-6612 |
| Compound Name: | 4-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 457.54 |
| Molecular Formula: | C24 H27 N O6 S |
| Smiles: | CC(C)CC(N(Cc1ccc(cc1)OS(c1ccc(cc1)OC)(=O)=O)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5042 |
| logD: | 4.5042 |
| logSw: | -4.2461 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.976 |
| InChI Key: | DKOGITQNBRWCDN-UHFFFAOYSA-N |