5-(diethylamino)-2-({(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-({(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate
5-(diethylamino)-2-({(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V030-3562 |
| Compound Name: | 5-(diethylamino)-2-({(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 519.66 |
| Molecular Formula: | C26 H37 N3 O6 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC2CCCO2)C(Nc2ccccc2OC)=O)c(c1)OS(CC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0392 |
| logD: | 4.0296 |
| logSw: | -4.0461 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.517 |
| InChI Key: | HFYFTRKRKKODAF-JOCHJYFZSA-N |