5-(diethylamino)-2-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
5-(diethylamino)-2-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2105 |
| Compound Name: | 5-(diethylamino)-2-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 518.72 |
| Molecular Formula: | C28 H42 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(CC(C)(C)C)=O)c(c1)OS(c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3813 |
| logD: | 6.3705 |
| logSw: | -5.5412 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.322 |
| InChI Key: | OZCWIPQNHRHWPK-UHFFFAOYSA-N |