N-[(3,4-dimethoxyphenyl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
N-[(3,4-dimethoxyphenyl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0299 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 421.95 |
| Molecular Formula: | C19 H23 N5 O2 S |
| Salt: | HCl |
| Smiles: | [H]N(CCCSc1nnnn1c1ccccc1)Cc1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.2903 |
| logD: | -1.0871 |
| logSw: | -2.6244 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.029 |
| InChI Key: | QWHKRVCKYKXLSB-UHFFFAOYSA-N |