N-({4-[(2,4-dichlorophenyl)methoxy]phenyl}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]phenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-({4-[(2,4-dichlorophenyl)methoxy]phenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8104-04312 |
| Compound Name: | N-({4-[(2,4-dichlorophenyl)methoxy]phenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 460.81 |
| Molecular Formula: | C18 H19 Cl2 N5 O S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1ccc(cc1)OCc1ccc(cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5018 |
| logD: | 0.6521 |
| logSw: | -3.7703 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.417 |
| InChI Key: | IXJCLNGFIXZQKV-UHFFFAOYSA-N |