5-(diethylamino)-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
5-(diethylamino)-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2093 |
| Compound Name: | 5-(diethylamino)-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 504.69 |
| Molecular Formula: | C27 H40 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(CC(C)C)=O)c(c1)OS(c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8657 |
| logD: | 5.8549 |
| logSw: | -5.4974 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.322 |
| InChI Key: | ROCGKQRHQPPYNG-UHFFFAOYSA-N |