5-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
5-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V023-9699 |
| Compound Name: | 5-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 502.56 |
| Molecular Formula: | C25 H27 F N2 O6 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(Cc2ccc(cc2)F)C(Nc2ccccc2OC)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.0549 |
| logD: | 4.0549 |
| logSw: | -4.0617 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.757 |
| InChI Key: | MCCYCLCWEQONTL-UHFFFAOYSA-N |