4,4,8-trimethyl-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
4,4,8-trimethyl-6-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
4,4,8-trimethyl-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: | Y021-2385 |
| Compound Name: | 4,4,8-trimethyl-6-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | Cc1cc2C(CSc3nncn3C)=CC(C)(C)N3C(C(c(c1)c23)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3391 |
| logD: | 2.3391 |
| logSw: | -2.642 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.333 |
| InChI Key: | DMUQUZFTZLPNQT-UHFFFAOYSA-N |