N-(2-aminoethyl)-N-(oxan-4-yl)-N'-{[4-(trifluoromethoxy)phenyl]methyl}urea--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-(2-aminoethyl)-N-(oxan-4-yl)-N'-{[4-(trifluoromethoxy)phenyl]methyl}urea--hydrogen chloride (1/1)
N-(2-aminoethyl)-N-(oxan-4-yl)-N'-{[4-(trifluoromethoxy)phenyl]methyl}urea--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | SA59-1337 |
| Compound Name: | N-(2-aminoethyl)-N-(oxan-4-yl)-N'-{[4-(trifluoromethoxy)phenyl]methyl}urea--hydrogen chloride (1/1) |
| Molecular Weight: | 397.82 |
| Molecular Formula: | C16 H22 F3 N3 O3 |
| Salt: | HCl |
| Smiles: | C1COCCC1N(CCN)C(NCc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.017 |
| logD: | -1.7551 |
| logSw: | -2.4162 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 60.816 |
| InChI Key: | PDWANSSEDLPFNS-UHFFFAOYSA-N |