2-{[(butan-2-yl)(cyclobutanecarbonyl)amino]methyl}-5-(diethylamino)phenyl ethanesulfonate
Chemical Structure Depiction of
2-{[(butan-2-yl)(cyclobutanecarbonyl)amino]methyl}-5-(diethylamino)phenyl ethanesulfonate
2-{[(butan-2-yl)(cyclobutanecarbonyl)amino]methyl}-5-(diethylamino)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V031-2011 |
| Compound Name: | 2-{[(butan-2-yl)(cyclobutanecarbonyl)amino]methyl}-5-(diethylamino)phenyl ethanesulfonate |
| Molecular Weight: | 424.6 |
| Molecular Formula: | C22 H36 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(Cc1ccc(cc1OS(CC)(=O)=O)N(CC)CC)C(C1CCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9843 |
| logD: | 3.9747 |
| logSw: | -3.9093 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.232 |
| InChI Key: | VEFIHNMAWIIDJU-KRWDZBQOSA-N |