3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V012-8049 |
| Compound Name: | 3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 405.51 |
| Molecular Formula: | C21 H27 N O5 S |
| Smiles: | CC(C)C(N(Cc1cccc(c1)OS(c1ccc(cc1)OC)(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0584 |
| logD: | 4.0584 |
| logSw: | -4.2768 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.77 |
| InChI Key: | YNDYILTVJZDBRT-UHFFFAOYSA-N |