N-[(2-chloro-6-fluorophenyl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(2-chloro-6-fluorophenyl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
N-[(2-chloro-6-fluorophenyl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0331 |
| Compound Name: | N-[(2-chloro-6-fluorophenyl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 414.33 |
| Molecular Formula: | C17 H17 Cl F N5 S |
| Salt: | HCl |
| Smiles: | [H]N(CCCSc1nnnn1c1ccccc1)Cc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.3995 |
| logD: | 2.1344 |
| logSw: | -3.7392 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.768 |
| InChI Key: | HLDIQKWFLRXPBD-UHFFFAOYSA-N |