3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-c]quinazoline
3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | 6023-0013 |
| Compound Name: | 3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C23 H16 N6 S |
| Smiles: | C(c1nc2ccccc2[nH]1)Sc1nnc2c3ccccc3nc(c3ccccc3)n12 |
| Stereo: | ACHIRAL |
| logP: | 5.1846 |
| logD: | 5.1718 |
| logSw: | -5.7248 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.592 |
| InChI Key: | SRQLADHASCNLDV-UHFFFAOYSA-N |