2-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
2-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-3448 |
| Compound Name: | 2-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 505.99 |
| Molecular Formula: | C25 H25 Cl F N O5 S |
| Smiles: | CC(C)CN(Cc1ccccc1OS(c1ccc(c(c1)F)OC)(=O)=O)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4672 |
| logD: | 5.4672 |
| logSw: | -5.7755 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.928 |
| InChI Key: | JMZHNWFFZUTSCB-UHFFFAOYSA-N |