4,4-dimethyl-6-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
Chemical Structure Depiction of
4,4-dimethyl-6-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
4,4-dimethyl-6-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
Compound characteristics
| Compound ID: | Y021-2278 |
| Compound Name: | 4,4-dimethyl-6-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione |
| Molecular Weight: | 337.4 |
| Molecular Formula: | C18 H15 N3 O2 S |
| Smiles: | CC1(C)C=C(CSc2ncccn2)c2cccc3C(C(N1c23)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5543 |
| logD: | 2.5543 |
| logSw: | -2.9199 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.725 |
| InChI Key: | ITHNGGXUJVGMBK-UHFFFAOYSA-N |