4-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
4-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-1087 |
| Compound Name: | 4-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 475.97 |
| Molecular Formula: | C24 H23 Cl F N O4 S |
| Smiles: | CC(C)N(Cc1ccc(cc1)OS(c1c(C)cccc1[Cl])(=O)=O)C(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1831 |
| logD: | 5.1831 |
| logSw: | -5.6654 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.955 |
| InChI Key: | ZRLNDHIHSDKYPF-UHFFFAOYSA-N |