tetramethyl 6'-butanoyl-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Chemical Structure Depiction of
tetramethyl 6'-butanoyl-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
tetramethyl 6'-butanoyl-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Compound characteristics
| Compound ID: | 2932-0378 |
| Compound Name: | tetramethyl 6'-butanoyl-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate |
| Molecular Weight: | 619.73 |
| Molecular Formula: | C28 H29 N O9 S3 |
| Smiles: | CCCC(N1c2ccccc2C2=C(C1(C)C)SC(=C(C(=O)OC)C21SC(=C(C(=O)OC)S1)C(=O)OC)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1397 |
| logD: | 5.1397 |
| logSw: | -5.0472 |
| Hydrogen bond acceptors count: | 17 |
| Polar surface area: | 98.795 |
| InChI Key: | OWLPETAGOSQRPC-UHFFFAOYSA-N |