2-(4-{[(adamantan-1-yl)amino]methyl}-2-bromo-6-ethoxyphenoxy)-N-tert-butylacetamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(4-{[(adamantan-1-yl)amino]methyl}-2-bromo-6-ethoxyphenoxy)-N-tert-butylacetamide--hydrogen chloride (1/1)
2-(4-{[(adamantan-1-yl)amino]methyl}-2-bromo-6-ethoxyphenoxy)-N-tert-butylacetamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 6408-0740 |
| Compound Name: | 2-(4-{[(adamantan-1-yl)amino]methyl}-2-bromo-6-ethoxyphenoxy)-N-tert-butylacetamide--hydrogen chloride (1/1) |
| Molecular Weight: | 529.95 |
| Molecular Formula: | C25 H37 Br N2 O3 |
| Salt: | HCl |
| Smiles: | [H]N(Cc1cc(c(c(c1)[Br])OCC(NC(C)(C)C)=O)OCC)C12CC3CC(CC(C3)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 5.4557 |
| logD: | 2.4942 |
| logSw: | -5.3784 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.669 |
| InChI Key: | QTBBQGIDOXRZAD-UHFFFAOYSA-N |