dimethyl 2-(4,4,9-trimethyl-1,2-dioxo-5-sulfanylidene-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-(4,4,9-trimethyl-1,2-dioxo-5-sulfanylidene-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-(4,4,9-trimethyl-1,2-dioxo-5-sulfanylidene-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 5402-0408 |
| Compound Name: | dimethyl 2-(4,4,9-trimethyl-1,2-dioxo-5-sulfanylidene-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 475.56 |
| Molecular Formula: | C21 H17 N O6 S3 |
| Smiles: | Cc1ccc2C(=C3SC(=C(C(=O)OC)S3)C(=O)OC)C(C(C)(C)N3C(C(c1c23)=O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.6763 |
| logD: | 3.6763 |
| logSw: | -4.246 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 72.297 |
| InChI Key: | NTGCMBJZTDEIAN-UHFFFAOYSA-N |