3-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
3-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
3-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-5724 |
| Compound Name: | 3-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C26 H30 N2 O6 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1cccc(CN(Cc2ccco2)C(CC(C)(C)C)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2806 |
| logD: | 4.2805 |
| logSw: | -4.3817 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.694 |
| InChI Key: | QJZKQSMBAMHZHX-UHFFFAOYSA-N |