2-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
2-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V023-9642 |
| Compound Name: | 2-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}-5-(diethylamino)phenyl ethanesulfonate |
| Molecular Weight: | 481.05 |
| Molecular Formula: | C24 H33 Cl N2 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(Cc1ccc(cc1OS(CC)(=O)=O)N(CC)CC)C(c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2217 |
| logD: | 5.2121 |
| logSw: | -5.4692 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.709 |
| InChI Key: | OTTTZGBFTFAXAI-SFHVURJKSA-N |