2-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-3-(2,3-dimethylphenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-3-(2,3-dimethylphenyl)quinazolin-4(3H)-one
2-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-3-(2,3-dimethylphenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8009-3907 |
| Compound Name: | 2-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-3-(2,3-dimethylphenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C24 H20 N4 O S |
| Smiles: | Cc1cccc(c1C)N1C(CSc2nc3ccccc3[nH]2)=Nc2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.2026 |
| logD: | 4.0973 |
| logSw: | -4.3564 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.306 |
| InChI Key: | ZECPZYXXCLSUCB-UHFFFAOYSA-N |