2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl ethanesulfonate
2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-2716 |
| Compound Name: | 2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 341.47 |
| Molecular Formula: | C17 H27 N O4 S |
| Smiles: | CCS(=O)(=O)Oc1ccccc1CN(C(C)C)C(CC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4649 |
| logD: | 3.4649 |
| logSw: | -3.6665 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.133 |
| InChI Key: | YICDZHFZNCBQDU-UHFFFAOYSA-N |