N-[(2-chlorophenyl)methyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
N-[(2-chlorophenyl)methyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | D272-0644 |
Compound Name: | N-[(2-chlorophenyl)methyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1) |
Molecular Weight: | 334.27 |
Molecular Formula: | C12 H16 Cl N5 S |
Salt: | HCl |
Smiles: | [H]N(CCCSc1nnnn1C)Cc1ccccc1[Cl] |
Stereo: | ACHIRAL |
logP: | 1.8031 |
logD: | 0.1552 |
logSw: | -2.3576 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.189 |
InChI Key: | YWRPMMQIXVUBCT-UHFFFAOYSA-N |