N-[(5-chloro-2-ethoxyphenyl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(5-chloro-2-ethoxyphenyl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
N-[(5-chloro-2-ethoxyphenyl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0404 |
| Compound Name: | N-[(5-chloro-2-ethoxyphenyl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 440.39 |
| Molecular Formula: | C19 H22 Cl N5 O S |
| Salt: | HCl |
| Smiles: | [H]N(CCCSc1nnnn1c1ccccc1)Cc1cc(ccc1OCC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8147 |
| logD: | 1.2503 |
| logSw: | -4.2261 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.978 |
| InChI Key: | QISKBPRJJQHTFS-UHFFFAOYSA-N |