3-{[(cyclobutanecarbonyl)(2-methylpropyl)amino]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-{[(cyclobutanecarbonyl)(2-methylpropyl)amino]methyl}phenyl 4-methoxybenzene-1-sulfonate
3-{[(cyclobutanecarbonyl)(2-methylpropyl)amino]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-7239 |
| Compound Name: | 3-{[(cyclobutanecarbonyl)(2-methylpropyl)amino]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 431.55 |
| Molecular Formula: | C23 H29 N O5 S |
| Smiles: | CC(C)CN(Cc1cccc(c1)OS(c1ccc(cc1)OC)(=O)=O)C(C1CCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1808 |
| logD: | 4.1808 |
| logSw: | -4.3293 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.278 |
| InChI Key: | QRWRKEUYNYHRCI-UHFFFAOYSA-N |