5-(diethylamino)-2-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl ethanesulfonate
5-(diethylamino)-2-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V030-3609 |
| Compound Name: | 5-(diethylamino)-2-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 454.63 |
| Molecular Formula: | C23 H38 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC2CCCO2)C(CC(C)C)=O)c(c1)OS(CC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4845 |
| logD: | 3.475 |
| logSw: | -3.7099 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.508 |
| InChI Key: | URXWQHSHCYLCER-OAQYLSRUSA-N |