triethyl 5',5',8',9'-tetramethyl-6'-(2-methylpropanoyl)-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4,5-tricarboxylate
Chemical Structure Depiction of
triethyl 5',5',8',9'-tetramethyl-6'-(2-methylpropanoyl)-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4,5-tricarboxylate
triethyl 5',5',8',9'-tetramethyl-6'-(2-methylpropanoyl)-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4,5-tricarboxylate
Compound characteristics
Compound ID: | 3389-2741 |
Compound Name: | triethyl 5',5',8',9'-tetramethyl-6'-(2-methylpropanoyl)-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4,5-tricarboxylate |
Molecular Weight: | 631.83 |
Molecular Formula: | C31 H37 N O7 S3 |
Smiles: | CCOC(C1=CC2(C3=C(C(C)(C)N(C(C(C)C)=O)c4cc(C)c(C)cc34)S1)SC(=C(C(=O)OCC)S2)C(=O)OCC)=O |
Stereo: | ACHIRAL |
logP: | 7.4413 |
logD: | 7.4413 |
logSw: | -5.7139 |
Hydrogen bond acceptors count: | 14 |
Polar surface area: | 76.888 |
InChI Key: | LWBOGEQADZZRMU-UHFFFAOYSA-N |