2-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}-4-chlorophenyl ethanesulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}-4-chlorophenyl ethanesulfonate
2-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}-4-chlorophenyl ethanesulfonate
Compound characteristics
| Compound ID: | V029-9325 |
| Compound Name: | 2-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}-4-chlorophenyl ethanesulfonate |
| Molecular Weight: | 444.38 |
| Molecular Formula: | C20 H23 Cl2 N O4 S |
| Smiles: | CCC(C)N(Cc1cc(ccc1OS(CC)(=O)=O)[Cl])C(c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9934 |
| logD: | 4.9934 |
| logSw: | -4.9409 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.973 |
| InChI Key: | PLCJEZAUDQPZQA-AWEZNQCLSA-N |