5-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}-2-methoxyphenyl ethanesulfonate
5-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V006-4057 |
| Compound Name: | 5-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 423.5 |
| Molecular Formula: | C21 H26 F N O5 S |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(CC)(=O)=O)OC)C(c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5905 |
| logD: | 3.5905 |
| logSw: | -3.8015 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.603 |
| InChI Key: | NEVMYMGKTBLZAE-HNNXBMFYSA-N |