tetramethyl 6'-{[(1,3-benzoxazol-2-yl)sulfanyl]acetyl}-5',5',8',9'-tetramethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Chemical Structure Depiction of
tetramethyl 6'-{[(1,3-benzoxazol-2-yl)sulfanyl]acetyl}-5',5',8',9'-tetramethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
tetramethyl 6'-{[(1,3-benzoxazol-2-yl)sulfanyl]acetyl}-5',5',8',9'-tetramethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Compound characteristics
| Compound ID: | 8009-6344 |
| Compound Name: | tetramethyl 6'-{[(1,3-benzoxazol-2-yl)sulfanyl]acetyl}-5',5',8',9'-tetramethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate |
| Molecular Weight: | 768.9 |
| Molecular Formula: | C35 H32 N2 O10 S4 |
| Smiles: | Cc1cc2C3=C(C(C)(C)N(C(CSc4nc5ccccc5o4)=O)c2cc1C)SC(=C(C(=O)OC)C31SC(=C(C(=O)OC)S1)C(=O)OC)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 7.2157 |
| logD: | 7.2157 |
| logSw: | -5.6993 |
| Hydrogen bond acceptors count: | 20 |
| Polar surface area: | 115.186 |
| InChI Key: | QWQNIOPIJOSGJF-UHFFFAOYSA-N |