3-{[2-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
3-{[2-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl ethanesulfonate
3-{[2-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V024-8033 |
| Compound Name: | 3-{[2-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C20 H24 F N O4 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(CC(C)C)C(c2ccccc2F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6963 |
| logD: | 3.6963 |
| logSw: | -3.9871 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.558 |
| InChI Key: | RXLRJSLNROXLEE-UHFFFAOYSA-N |