2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-4528 |
| Compound Name: | 2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C22 H29 N O5 S |
| Smiles: | CC(C)CC(N(Cc1ccccc1OS(c1ccc(cc1)OC)(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7044 |
| logD: | 4.7044 |
| logSw: | -4.4224 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.329 |
| InChI Key: | MGYCHDQSWSFMNU-UHFFFAOYSA-N |