3-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
3-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
3-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-3197 |
| Compound Name: | 3-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C25 H29 N3 O6 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1cccc(CN(Cc2ccco2)C(NC(C)(C)C)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8368 |
| logD: | 3.8367 |
| logSw: | -4.0076 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.188 |
| InChI Key: | FDMBYWBUEUUERE-UHFFFAOYSA-N |