2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-({4-[(prop-2-en-1-yl)oxy]phenyl}methyl)ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-({4-[(prop-2-en-1-yl)oxy]phenyl}methyl)ethan-1-amine--hydrogen chloride (1/1)
2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-({4-[(prop-2-en-1-yl)oxy]phenyl}methyl)ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0203 |
| Compound Name: | 2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-({4-[(prop-2-en-1-yl)oxy]phenyl}methyl)ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 403.93 |
| Molecular Formula: | C19 H21 N5 O S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1c1ccccc1)Cc1ccc(cc1)OCC=C |
| Stereo: | ACHIRAL |
| logP: | 3.0159 |
| logD: | 0.7257 |
| logSw: | -3.2543 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.185 |
| InChI Key: | BMAWXCAAPNCPIF-UHFFFAOYSA-N |