5-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
5-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-8436 |
| Compound Name: | 5-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 502.46 |
| Molecular Formula: | C23 H29 Cl2 N O5 S |
| Smiles: | CC(C)N(Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7229 |
| logD: | 5.7229 |
| logSw: | -5.9628 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.416 |
| InChI Key: | YIIGBWWUFFBPDX-UHFFFAOYSA-N |