N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0494 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 343.83 |
| Molecular Formula: | C13 H17 N5 O2 S |
| Salt: | HCl |
| Smiles: | [H]N(CCCSc1nnnn1C)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 0.9689 |
| logD: | -2.4086 |
| logSw: | -2.1836 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.304 |
| InChI Key: | RRTBTSLKDACGNG-UHFFFAOYSA-N |