N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | D272-0298 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1) |
Molecular Weight: | 405.9 |
Molecular Formula: | C18 H19 N5 O2 S |
Salt: | HCl |
Smiles: | [H]N(CCCSc1nnnn1c1ccccc1)Cc1ccc2c(c1)OCO2 |
Stereo: | ACHIRAL |
logP: | 2.5885 |
logD: | -0.789 |
logSw: | -2.9017 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.883 |
InChI Key: | LSNUHVGUYHOZMP-UHFFFAOYSA-N |