3-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
3-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl ethanesulfonate
3-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V011-3842 |
| Compound Name: | 3-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 355.5 |
| Molecular Formula: | C18 H29 N O4 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(CC(C)C)C(CC(C)C)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5532 |
| logD: | 3.5532 |
| logSw: | -3.7902 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.302 |
| InChI Key: | SKDJBFYYJLBQNZ-UHFFFAOYSA-N |