3-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
3-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-2525 |
| Compound Name: | 3-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 451.56 |
| Molecular Formula: | C23 H30 F N O5 S |
| Smiles: | CC(C)CC(N(CC(C)C)Cc1cccc(c1)OS(c1ccc(c(c1)F)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8501 |
| logD: | 4.8501 |
| logSw: | -4.7469 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.585 |
| InChI Key: | KXZSMPSHQNMWDP-UHFFFAOYSA-N |