4-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
4-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-4022 |
| Compound Name: | 4-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 506.45 |
| Molecular Formula: | C25 H25 Cl2 N O4 S |
| Smiles: | CC(C)CN(Cc1ccc(cc1)OS(c1c(C)cccc1[Cl])(=O)=O)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8504 |
| logD: | 5.8504 |
| logSw: | -5.8068 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.211 |
| InChI Key: | XKZRYAGJTLQWJH-UHFFFAOYSA-N |