6-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-4,4-dimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
Chemical Structure Depiction of
6-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-4,4-dimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
6-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-4,4-dimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
Compound characteristics
| Compound ID: | Y021-2276 |
| Compound Name: | 6-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-4,4-dimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione |
| Molecular Weight: | 375.45 |
| Molecular Formula: | C21 H17 N3 O2 S |
| Smiles: | CC1(C)C=C(CSc2nc3ccccc3[nH]2)c2cccc3C(C(N1c23)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5694 |
| logD: | 3.5596 |
| logSw: | -3.9855 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.581 |
| InChI Key: | HKVFIKUJASOLEU-UHFFFAOYSA-N |