4-chloro-2-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-3634 |
| Compound Name: | 4-chloro-2-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 519.02 |
| Molecular Formula: | C25 H27 Cl N2 O6 S |
| Smiles: | CC(C)CC(N(Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5252 |
| logD: | 4.5251 |
| logSw: | -4.6296 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.781 |
| InChI Key: | LRFDVXIFUZOTMC-UHFFFAOYSA-N |