tetramethyl 5',5'-dimethyl-6'-(phenylacetyl)-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Chemical Structure Depiction of
tetramethyl 5',5'-dimethyl-6'-(phenylacetyl)-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
tetramethyl 5',5'-dimethyl-6'-(phenylacetyl)-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Compound characteristics
Compound ID: | 3389-0152 |
Compound Name: | tetramethyl 5',5'-dimethyl-6'-(phenylacetyl)-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate |
Molecular Weight: | 667.78 |
Molecular Formula: | C32 H29 N O9 S3 |
Smiles: | CC1(C)C2=C(c3ccccc3N1C(Cc1ccccc1)=O)C1(C(=C(C(=O)OC)S2)C(=O)OC)SC(=C(C(=O)OC)S1)C(=O)OC |
Stereo: | ACHIRAL |
logP: | 5.5949 |
logD: | 5.5949 |
logSw: | -5.5443 |
Hydrogen bond acceptors count: | 17 |
Polar surface area: | 98.523 |
InChI Key: | VVNJNCONZYORMR-UHFFFAOYSA-N |