8-fluoro-4,4-dimethyl-6-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
Chemical Structure Depiction of
8-fluoro-4,4-dimethyl-6-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
8-fluoro-4,4-dimethyl-6-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
Compound characteristics
| Compound ID: | Y021-2281 |
| Compound Name: | 8-fluoro-4,4-dimethyl-6-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione |
| Molecular Weight: | 358.39 |
| Molecular Formula: | C17 H15 F N4 O2 S |
| Smiles: | CC1(C)C=C(CSc2nncn2C)c2cc(cc3C(C(N1c23)=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 2.4456 |
| logD: | 2.4456 |
| logSw: | -2.6621 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.333 |
| InChI Key: | BYHJVKUDCXGFKH-UHFFFAOYSA-N |