dimethyl 2-(1-benzoyl-7-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-(1-benzoyl-7-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-(1-benzoyl-7-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3389-0369 |
| Compound Name: | dimethyl 2-(1-benzoyl-7-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 541.66 |
| Molecular Formula: | C26 H23 N O6 S3 |
| Smiles: | CC1(C)C(C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)c2ccc(cc2N1C(c1ccccc1)=O)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 5.4387 |
| logD: | 5.4387 |
| logSw: | -5.6094 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 64.326 |
| InChI Key: | FSCYHKLTRBDZMH-UHFFFAOYSA-N |