2-{[acetyl(butan-2-yl)amino]methyl}-4-chlorophenyl methanesulfonate
Chemical Structure Depiction of
2-{[acetyl(butan-2-yl)amino]methyl}-4-chlorophenyl methanesulfonate
2-{[acetyl(butan-2-yl)amino]methyl}-4-chlorophenyl methanesulfonate
Compound characteristics
| Compound ID: | V024-8069 |
| Compound Name: | 2-{[acetyl(butan-2-yl)amino]methyl}-4-chlorophenyl methanesulfonate |
| Molecular Weight: | 333.83 |
| Molecular Formula: | C14 H20 Cl N O4 S |
| Smiles: | CCC(C)N(Cc1cc(ccc1OS(C)(=O)=O)[Cl])C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6941 |
| logD: | 2.6941 |
| logSw: | -3.2884 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.753 |
| InChI Key: | ZEKGQKOUVQQLTR-JTQLQIEISA-N |