N-{3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propyl}-3-phenylprop-2-yn-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-{3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propyl}-3-phenylprop-2-yn-1-amine--hydrogen chloride (1/1)
N-{3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propyl}-3-phenylprop-2-yn-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0599 |
| Compound Name: | N-{3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propyl}-3-phenylprop-2-yn-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 323.85 |
| Molecular Formula: | C14 H17 N5 S |
| Salt: | HCl |
| Smiles: | [H]N(CCCSc1nnnn1C)CC#Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7666 |
| logD: | 1.6532 |
| logSw: | -1.7896 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.031 |
| InChI Key: | HSWJRJXYFSVBJM-UHFFFAOYSA-N |