1,3-dimethyl-5-[({3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}amino)methyl]-1,3-dihydro-2H-benzimidazol-2-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1,3-dimethyl-5-[({3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}amino)methyl]-1,3-dihydro-2H-benzimidazol-2-one--hydrogen chloride (1/1)
1,3-dimethyl-5-[({3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}amino)methyl]-1,3-dihydro-2H-benzimidazol-2-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0432 |
| Compound Name: | 1,3-dimethyl-5-[({3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}amino)methyl]-1,3-dihydro-2H-benzimidazol-2-one--hydrogen chloride (1/1) |
| Molecular Weight: | 445.97 |
| Molecular Formula: | C20 H23 N7 O S |
| Salt: | HCl |
| Smiles: | [H]N(CCCSc1nnnn1c1ccccc1)Cc1ccc2c(c1)N(C)C(N2C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0829 |
| logD: | -1.5239 |
| logSw: | -2.9913 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.452 |
| InChI Key: | XQYZBZLEDCUOJF-UHFFFAOYSA-N |