5-(diethylamino)-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
5-(diethylamino)-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-1815 |
| Compound Name: | 5-(diethylamino)-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 531.72 |
| Molecular Formula: | C28 H41 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(CC(C)C)=O)c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0845 |
| logD: | 5.0736 |
| logSw: | -4.9363 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.04 |
| InChI Key: | AWIUGYOUELPRGY-UHFFFAOYSA-N |