1-[4-(4-acetyl-5-phenyl-2H-1,3-dithiol-2-ylidene)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-3,4-dihydroquinolin-1(2H)-yl]-2-methylbutan-1-one
Chemical Structure Depiction of
1-[4-(4-acetyl-5-phenyl-2H-1,3-dithiol-2-ylidene)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-3,4-dihydroquinolin-1(2H)-yl]-2-methylbutan-1-one
1-[4-(4-acetyl-5-phenyl-2H-1,3-dithiol-2-ylidene)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-3,4-dihydroquinolin-1(2H)-yl]-2-methylbutan-1-one
Compound characteristics
| Compound ID: | 3505-6189 |
| Compound Name: | 1-[4-(4-acetyl-5-phenyl-2H-1,3-dithiol-2-ylidene)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-3,4-dihydroquinolin-1(2H)-yl]-2-methylbutan-1-one |
| Molecular Weight: | 537.76 |
| Molecular Formula: | C29 H31 N O3 S3 |
| Smiles: | CCC(C)C(N1c2ccc(cc2\C(=C2SC(=C(c3ccccc3)S/2)C(C)=O)C(C1(C)C)=S)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.12 |
| logD: | 7.12 |
| logSw: | -5.7111 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 35.385 |
| InChI Key: | XIXXJJJZPMUSBS-KRWDZBQOSA-N |