2-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
2-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V015-5122 |
| Compound Name: | 2-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 484.57 |
| Molecular Formula: | C25 H28 N2 O6 S |
| Smiles: | CC(C)CC(N(Cc1ccccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9606 |
| logD: | 3.9605 |
| logSw: | -4.0216 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.781 |
| InChI Key: | BTEWPGIHEBGNOR-UHFFFAOYSA-N |