5-(diethylamino)-2-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
5-(diethylamino)-2-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-5836 |
| Compound Name: | 5-(diethylamino)-2-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 545.74 |
| Molecular Formula: | C29 H43 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(CC(C)(C)C)=O)c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6001 |
| logD: | 5.5893 |
| logSw: | -5.3692 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.04 |
| InChI Key: | OTEKTLKXASBWFM-UHFFFAOYSA-N |