N-[(1-methyl-1H-pyrrol-2-yl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(1-methyl-1H-pyrrol-2-yl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
N-[(1-methyl-1H-pyrrol-2-yl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0429 |
| Compound Name: | N-[(1-methyl-1H-pyrrol-2-yl)methyl]-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 364.9 |
| Molecular Formula: | C16 H20 N6 S |
| Salt: | HCl |
| Smiles: | [H]N(CCCSc1nnnn1c1ccccc1)Cc1cccn1C |
| Stereo: | ACHIRAL |
| logP: | 2.152 |
| logD: | 0.5482 |
| logSw: | -2.1489 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.665 |
| InChI Key: | ZLRPINDCZZFQOI-UHFFFAOYSA-N |