6-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-8-fluoro-4,4-dimethyl-1-(phenylimino)-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Chemical Structure Depiction of
6-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-8-fluoro-4,4-dimethyl-1-(phenylimino)-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
6-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-8-fluoro-4,4-dimethyl-1-(phenylimino)-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Compound characteristics
| Compound ID: | Y021-2767 |
| Compound Name: | 6-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-8-fluoro-4,4-dimethyl-1-(phenylimino)-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one |
| Molecular Weight: | 468.55 |
| Molecular Formula: | C27 H21 F N4 O S |
| Smiles: | CC1(C)C=C(CSc2nc3ccccc3[nH]2)c2cc(cc3/C(C(N1c23)=O)=N/c1ccccc1)F |
| Stereo: | ACHIRAL |
| logP: | 5.5109 |
| logD: | 5.5011 |
| logSw: | -5.4709 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.17 |
| InChI Key: | JLARRQRASVXBKA-UHFFFAOYSA-N |