3-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
3-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl ethanesulfonate
3-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V029-9617 |
| Compound Name: | 3-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 379.45 |
| Molecular Formula: | C19 H22 F N O4 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(C(C)C)C(c2cccc(c2)F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3074 |
| logD: | 3.3074 |
| logSw: | -3.6751 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.302 |
| InChI Key: | IOHVHXQKFDJLNQ-UHFFFAOYSA-N |