2-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
2-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-0447 |
| Compound Name: | 2-({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(Cc1ccccc1OS(c1ccc(cc1)OC)(=O)=O)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7418 |
| logD: | 4.7418 |
| logSw: | -4.5278 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.063 |
| InChI Key: | YXIASEXSQICAAW-UHFFFAOYSA-N |