2-methoxy-5-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-methoxy-5-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
2-methoxy-5-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V001-0205 |
| Compound Name: | 2-methoxy-5-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C22 H29 N O6 S |
| Smiles: | CC(C)C(N(Cc1ccc(c(c1)OS(c1ccc(cc1)OC)(=O)=O)OC)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7533 |
| logD: | 3.7533 |
| logSw: | -4.1017 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.487 |
| InChI Key: | XCBHDQHHLLCKCN-UHFFFAOYSA-N |