8-ethyl-4,4-dimethyl-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
Chemical Structure Depiction of
8-ethyl-4,4-dimethyl-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
8-ethyl-4,4-dimethyl-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
Compound characteristics
| Compound ID: | Y021-2399 |
| Compound Name: | 8-ethyl-4,4-dimethyl-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione |
| Molecular Weight: | 385.51 |
| Molecular Formula: | C19 H19 N3 O2 S2 |
| Smiles: | CCc1cc2C(CSc3nnc(C)s3)=CC(C)(C)N3C(C(c(c1)c23)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8873 |
| logD: | 3.8873 |
| logSw: | -3.9523 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.239 |
| InChI Key: | XBFXXRUHMPJWBW-UHFFFAOYSA-N |