5-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
5-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V027-0439 |
| Compound Name: | 5-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 424.49 |
| Molecular Formula: | C20 H25 F N2 O5 S |
| Smiles: | CCNC(N(Cc1ccc(cc1)F)Cc1ccc(c(c1)OS(CC)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5323 |
| logD: | 2.5323 |
| logSw: | -3.0085 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.044 |
| InChI Key: | PRJYQSXVEWABRC-UHFFFAOYSA-N |