2-methoxy-5-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-methoxy-5-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
2-methoxy-5-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-4854 |
| Compound Name: | 2-methoxy-5-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C23 H31 N O6 S |
| Smiles: | CC(C)CC(N(Cc1ccc(c(c1)OS(c1ccc(cc1)OC)(=O)=O)OC)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1549 |
| logD: | 4.1549 |
| logSw: | -4.3168 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.96 |
| InChI Key: | BBEMGOWZXSQCIQ-UHFFFAOYSA-N |