2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methyl)ethan-1-amine
Chemical Structure Depiction of
2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methyl)ethan-1-amine
2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methyl)ethan-1-amine
Compound characteristics
| Compound ID: | D660-0404 |
| Compound Name: | 2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methyl)ethan-1-amine |
| Molecular Weight: | 419.85 |
| Molecular Formula: | C16 H16 F3 N5 O S |
| Salt: | HCl |
| Smiles: | Cn1c(nnn1)SCCNCc1ccc(c2cccc(c2)C(F)(F)F)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.8454 |
| logD: | 0.8392 |
| logSw: | -3.3779 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.759 |
| InChI Key: | AXNLXIWVDUEUCH-UHFFFAOYSA-N |