N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | D175-0048 |
Compound Name: | N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
Molecular Weight: | 380.29 |
Molecular Formula: | C13 H18 Cl N5 O2 S |
Salt: | HCl |
Smiles: | [H]N(CCSc1nnnn1C)Cc1cc(c(c(c1)[Cl])OC)OC |
Stereo: | ACHIRAL |
logP: | 1.526 |
logD: | -2.4003 |
logSw: | -2.7106 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.537 |
InChI Key: | GHILPSQQIFOCSV-UHFFFAOYSA-N |