5-(diethylamino)-2-({N-[2-(dimethylamino)ethyl]butanamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-({N-[2-(dimethylamino)ethyl]butanamido}methyl)phenyl ethanesulfonate
5-(diethylamino)-2-({N-[2-(dimethylamino)ethyl]butanamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V006-7894 |
| Compound Name: | 5-(diethylamino)-2-({N-[2-(dimethylamino)ethyl]butanamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 427.61 |
| Molecular Formula: | C21 H37 N3 O4 S |
| Smiles: | CCCC(N(CCN(C)C)Cc1ccc(cc1OS(CC)(=O)=O)N(CC)CC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1012 |
| logD: | 2.2124 |
| logSw: | -3.3626 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.969 |
| InChI Key: | YIZAOPPXWRJEHJ-UHFFFAOYSA-N |