N-[(2,6-dichlorophenyl)methyl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(2,6-dichlorophenyl)methyl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-[(2,6-dichlorophenyl)methyl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D660-0213 |
| Compound Name: | N-[(2,6-dichlorophenyl)methyl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 416.76 |
| Molecular Formula: | C16 H15 Cl2 N5 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1c1ccccc1)Cc1c(cccc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7401 |
| logD: | 2.2825 |
| logSw: | -4.0089 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.768 |
| InChI Key: | NDLJLCIACNXJEK-UHFFFAOYSA-N |