N-[(2-methylphenyl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(2-methylphenyl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
N-[(2-methylphenyl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0454 |
| Compound Name: | N-[(2-methylphenyl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 375.92 |
| Molecular Formula: | C18 H21 N5 S |
| Salt: | HCl |
| Smiles: | [H]N(CCCSc1nnnn1c1ccccc1)Cc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 3.5286 |
| logD: | 1.5486 |
| logSw: | -3.568 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.768 |
| InChI Key: | PDMKVDNJVMGLAA-UHFFFAOYSA-N |