N-({3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methyl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-({3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methyl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-({3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methyl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | 8104-08474 |
Compound Name: | N-({3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methyl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
Molecular Weight: | 447.99 |
Molecular Formula: | C21 H25 N5 O2 S |
Salt: | HCl |
Smiles: | [H]N(CCSc1nnnn1c1ccccc1)Cc1ccc(c(c1)OCC)OCC=C |
Stereo: | ACHIRAL |
logP: | 3.0274 |
logD: | -0.7075 |
logSw: | -3.1905 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.482 |
InChI Key: | SFZQKSIUZSRXQL-UHFFFAOYSA-N |