1-{3-methoxy-4-[(1-phenyl-1H-tetrazol-5-yl)oxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-{3-methoxy-4-[(1-phenyl-1H-tetrazol-5-yl)oxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine--hydrogen chloride (1/1)
1-{3-methoxy-4-[(1-phenyl-1H-tetrazol-5-yl)oxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | J067-0066 |
| Compound Name: | 1-{3-methoxy-4-[(1-phenyl-1H-tetrazol-5-yl)oxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine--hydrogen chloride (1/1) |
| Molecular Weight: | 424.89 |
| Molecular Formula: | C21 H20 N6 O2 |
| Salt: | HCl |
| Smiles: | COc1cc(CNCc2ccncc2)ccc1Oc1nnnn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2008 |
| logD: | 0.7082 |
| logSw: | -2.358 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.538 |
| InChI Key: | QGHUPJWLQZTMFA-UHFFFAOYSA-N |