4-({N-[2-(dimethylamino)ethyl](2-methoxyphenyl)carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-({N-[2-(dimethylamino)ethyl](2-methoxyphenyl)carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
4-({N-[2-(dimethylamino)ethyl](2-methoxyphenyl)carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-3978 |
| Compound Name: | 4-({N-[2-(dimethylamino)ethyl](2-methoxyphenyl)carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 532.06 |
| Molecular Formula: | C26 H30 Cl N3 O5 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1S(=O)(=O)Oc1ccc(CN(CCN(C)C)C(Nc2ccccc2OC)=O)cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6351 |
| logD: | 2.4934 |
| logSw: | -4.6873 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.809 |
| InChI Key: | ZDTZNKPFXWWWFK-UHFFFAOYSA-N |