5-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
5-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2005 |
| Compound Name: | 5-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 531.5 |
| Molecular Formula: | C24 H32 Cl2 N2 O5 S |
| Smiles: | CC(C)(C)CC(N(CCN(C)C)Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.928 |
| logD: | 4.0392 |
| logSw: | -5.0009 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.516 |
| InChI Key: | YVOBSVBRSBXTGR-UHFFFAOYSA-N |