N-({3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-({3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-({3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D175-0020 |
| Compound Name: | N-({3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 518.83 |
| Molecular Formula: | C19 H21 Br F N5 O2 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1cc(c(c(c1)[Br])OCc1ccccc1F)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2222 |
| logD: | -1.0738 |
| logSw: | -3.4276 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.22 |
| InChI Key: | WVFNMCPEUXZZRJ-UHFFFAOYSA-N |