4-chloro-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-chloro-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl ethanesulfonate
4-chloro-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-2772 |
| Compound Name: | 4-chloro-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 389.94 |
| Molecular Formula: | C18 H28 Cl N O4 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(cc1CN(CC(C)C)C(CC(C)C)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3979 |
| logD: | 4.3979 |
| logSw: | -4.5418 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.389 |
| InChI Key: | DBTOPNIBPCYRED-UHFFFAOYSA-N |