N-[(1-methyl-1H-pyrrol-2-yl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(1-methyl-1H-pyrrol-2-yl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-[(1-methyl-1H-pyrrol-2-yl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D175-0056 |
| Compound Name: | N-[(1-methyl-1H-pyrrol-2-yl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 288.8 |
| Molecular Formula: | C10 H16 N6 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1cccn1C |
| Stereo: | ACHIRAL |
| logP: | 0.3398 |
| logD: | -2.1731 |
| logSw: | -1.4303 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.087 |
| InChI Key: | NXCIJHCJKOKEDT-UHFFFAOYSA-N |