N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0607 |
| Compound Name: | N-[(3-chloro-4-ethoxy-5-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])OCC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.1088 |
| logD: | -0.8992 |
| logSw: | -3.1416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.116 |
| InChI Key: | LSUNOIMPVBZYRD-UHFFFAOYSA-N |