4-chloro-2-({3-fluoro-N-[(oxolan-2-yl)methyl]benzamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({3-fluoro-N-[(oxolan-2-yl)methyl]benzamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-({3-fluoro-N-[(oxolan-2-yl)methyl]benzamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V024-5992 |
| Compound Name: | 4-chloro-2-({3-fluoro-N-[(oxolan-2-yl)methyl]benzamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 561.03 |
| Molecular Formula: | C27 H26 Cl F N2 O6 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1CN(CC1CCCO1)C(c1cccc(c1)F)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7608 |
| logD: | 3.7607 |
| logSw: | -4.1756 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.942 |
| InChI Key: | YHNGOTOCUXHGSX-XMMPIXPASA-N |