3-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
3-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-2537 |
| Compound Name: | 3-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 465.58 |
| Molecular Formula: | C24 H32 F N O5 S |
| Smiles: | CC(C)CN(Cc1cccc(c1)OS(c1ccc(c(c1)F)OC)(=O)=O)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3658 |
| logD: | 5.3658 |
| logSw: | -5.486 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.585 |
| InChI Key: | MXBFXWHVYLXRIV-UHFFFAOYSA-N |