N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D660-0393 |
| Compound Name: | N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 405.9 |
| Molecular Formula: | C18 H19 N5 O2 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1c1ccccc1)Cc1ccc2c(c1)OCCO2 |
| Stereo: | ACHIRAL |
| logP: | 1.5353 |
| logD: | -2.1995 |
| logSw: | -2.2709 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.591 |
| InChI Key: | UJYLLZKVNGIUPL-UHFFFAOYSA-N |