2-(1H-benzimidazol-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
2-(1H-benzimidazol-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 7682-0322 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 390.42 |
| Molecular Formula: | C18 H14 N8 O S |
| Smiles: | C1C(CSc2nnnn2c2ccccc2)=NN(C1=O)c1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.2778 |
| logD: | 1.7355 |
| logSw: | -2.6049 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.538 |
| InChI Key: | ZCQSRKKYVOKNSY-UHFFFAOYSA-N |