4-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
4-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
4-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-1066 |
| Compound Name: | 4-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C22 H24 N2 O6 S |
| Smiles: | CCNC(N(Cc1ccc(cc1)OS(c1ccc(cc1)OC)(=O)=O)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5362 |
| logD: | 3.5362 |
| logSw: | -3.6554 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.272 |
| InChI Key: | NHTOADSXPDNSBI-UHFFFAOYSA-N |