N-({4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-({4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-({4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | 8104-04580 |
Compound Name: | N-({4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
Molecular Weight: | 504.86 |
Molecular Formula: | C20 H23 Cl2 N5 O2 S |
Salt: | HCl |
Smiles: | [H]N(CCSc1nnnn1C)Cc1ccc(c(c1)OCC)OCc1ccc(cc1[Cl])[Cl] |
Stereo: | ACHIRAL |
logP: | 3.389 |
logD: | -0.907 |
logSw: | -3.7285 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.714 |
InChI Key: | MRZTTZQUNUIFOE-UHFFFAOYSA-N |