2-(1-{[4-(methanesulfonyl)phenyl]methyl}-1H-1,2,3-triazol-4-yl)ethan-1-amine--hydrogen chloride (1/2)
Chemical Structure Depiction of
2-(1-{[4-(methanesulfonyl)phenyl]methyl}-1H-1,2,3-triazol-4-yl)ethan-1-amine--hydrogen chloride (1/2)
2-(1-{[4-(methanesulfonyl)phenyl]methyl}-1H-1,2,3-triazol-4-yl)ethan-1-amine--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | 8020-4992 |
| Compound Name: | 2-(1-{[4-(methanesulfonyl)phenyl]methyl}-1H-1,2,3-triazol-4-yl)ethan-1-amine--hydrogen chloride (1/2) |
| Molecular Weight: | 353.27 |
| Molecular Formula: | C12 H16 N4 O2 S |
| Salt: | 2HCl |
| Smiles: | CS(c1ccc(Cn2cc(CCN)nn2)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.6392 |
| logD: | -4.2387 |
| logSw: | -1.935 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.151 |
| InChI Key: | LOOFBKHYTKZUJV-UHFFFAOYSA-N |