2-({2-chloro-N-[(oxolan-2-yl)methyl]benzamido}methyl)-5-(diethylamino)phenyl ethanesulfonate
Chemical Structure Depiction of
2-({2-chloro-N-[(oxolan-2-yl)methyl]benzamido}methyl)-5-(diethylamino)phenyl ethanesulfonate
2-({2-chloro-N-[(oxolan-2-yl)methyl]benzamido}methyl)-5-(diethylamino)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V030-3597 |
| Compound Name: | 2-({2-chloro-N-[(oxolan-2-yl)methyl]benzamido}methyl)-5-(diethylamino)phenyl ethanesulfonate |
| Molecular Weight: | 509.06 |
| Molecular Formula: | C25 H33 Cl N2 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC2CCCO2)C(c2ccccc2[Cl])=O)c(c1)OS(CC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9061 |
| logD: | 3.8965 |
| logSw: | -4.2846 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.764 |
| InChI Key: | BMVVOFMICJTEDI-OAQYLSRUSA-N |