3-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
3-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V024-6312 |
| Compound Name: | 3-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 550.61 |
| Molecular Formula: | C29 H27 F N2 O6 S |
| Smiles: | COc1ccc(cc1)S(=O)(=O)Oc1cccc(CN(Cc2ccc(cc2)F)C(Nc2ccccc2OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5995 |
| logD: | 5.5995 |
| logSw: | -5.4276 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.237 |
| InChI Key: | MWYCUZQDVFVCCT-UHFFFAOYSA-N |