N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0613 |
| Compound Name: | N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 408.35 |
| Molecular Formula: | C15 H22 Cl N5 O2 S |
| Salt: | HCl |
| Smiles: | [H]N(CCCSc1nnnn1C)Cc1cc(c(c(c1)[Cl])OC)OCC |
| Stereo: | ACHIRAL |
| logP: | 1.9936 |
| logD: | -1.0145 |
| logSw: | -2.9744 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.116 |
| InChI Key: | NKOTVKUPRWIYEK-UHFFFAOYSA-N |