2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}-4-chlorophenyl ethanesulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}-4-chlorophenyl ethanesulfonate
2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}-4-chlorophenyl ethanesulfonate
Compound characteristics
| Compound ID: | V025-1593 |
| Compound Name: | 2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}-4-chlorophenyl ethanesulfonate |
| Molecular Weight: | 375.91 |
| Molecular Formula: | C17 H26 Cl N O4 S |
| Smiles: | CCC(C)N(Cc1cc(ccc1OS(CC)(=O)=O)[Cl])C(C(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.092 |
| logD: | 4.092 |
| logSw: | -4.4139 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.244 |
| InChI Key: | MMPLSHYWLVYWKJ-ZDUSSCGKSA-N |