2-({butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)-5-(diethylamino)phenyl ethanesulfonate
Chemical Structure Depiction of
2-({butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)-5-(diethylamino)phenyl ethanesulfonate
2-({butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)-5-(diethylamino)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V001-3338 |
| Compound Name: | 2-({butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)-5-(diethylamino)phenyl ethanesulfonate |
| Molecular Weight: | 456.65 |
| Molecular Formula: | C22 H40 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCCCNC(N(CCN(C)C)Cc1ccc(cc1OS(CC)(=O)=O)N(CC)CC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6063 |
| logD: | 0.9056 |
| logSw: | -3.6598 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.481 |
| InChI Key: | JTUSLJQWSLTTFJ-UHFFFAOYSA-N |