N-{[4-(methylsulfanyl)phenyl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
N-{[4-(methylsulfanyl)phenyl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0651 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 345.91 |
| Molecular Formula: | C13 H19 N5 S2 |
| Salt: | HCl |
| Smiles: | [H]N(CCCSc1nnnn1C)Cc1ccc(cc1)SC |
| Stereo: | ACHIRAL |
| logP: | 1.7751 |
| logD: | -0.0883 |
| logSw: | -2.0248 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.189 |
| InChI Key: | NXFCOGOKJGFPOX-UHFFFAOYSA-N |