tetramethyl 6'-butanoyl-5',5',9'-trimethyl-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',9'-trimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
tetramethyl 6'-butanoyl-5',5',9'-trimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Compound characteristics
| Compound ID: | 3389-0320 |
| Compound Name: | tetramethyl 6'-butanoyl-5',5',9'-trimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate |
| Molecular Weight: | 633.76 |
| Molecular Formula: | C29 H31 N O9 S3 |
| Smiles: | CCCC(N1c2ccc(C)cc2C2=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: | 5.6157 |
| logD: | 5.6157 |
| logSw: | -5.4261 |
| Hydrogen bond acceptors count: | 17 |
| Polar surface area: | 98.795 |
| InChI Key: | VOLIWMFTWOEANJ-UHFFFAOYSA-N |