tetramethyl 6'-{[(1,3-benzothiazol-2-yl)oxy]acetyl}-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'-{[(1,3-benzothiazol-2-yl)oxy]acetyl}-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
tetramethyl 6'-{[(1,3-benzothiazol-2-yl)oxy]acetyl}-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: | 4477-0934 |
| Compound Name: | tetramethyl 6'-{[(1,3-benzothiazol-2-yl)oxy]acetyl}-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate |
| Molecular Weight: | 740.85 |
| Molecular Formula: | C33 H28 N2 O10 S4 |
| Smiles: | CC1(C)C2=C(c3ccccc3N1C(COc1nc3ccccc3s1)=O)C1(C(=C(C(=O)OC)S2)C(=O)OC)SC(=C(C(=O)OC)S1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.0996 |
| logD: | 6.0996 |
| logSw: | -5.6251 |
| Hydrogen bond acceptors count: | 19 |
| Polar surface area: | 117.532 |
| InChI Key: | MULHWQHPHJQQJZ-UHFFFAOYSA-N |