5-({2-chloro-N-[(4-fluorophenyl)methyl]benzamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-({2-chloro-N-[(4-fluorophenyl)methyl]benzamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
5-({2-chloro-N-[(4-fluorophenyl)methyl]benzamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V024-3666 |
| Compound Name: | 5-({2-chloro-N-[(4-fluorophenyl)methyl]benzamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 597.06 |
| Molecular Formula: | C30 H26 Cl F N2 O6 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1cc(CN(Cc2ccc(cc2)F)C(c2ccccc2[Cl])=O)ccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.38 |
| logD: | 4.3799 |
| logSw: | -4.5009 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.918 |
| InChI Key: | HVVFFCQGTBYAFA-UHFFFAOYSA-N |