2-[2-(6-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-[2-(6-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-[2-(6-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3389-1094 |
| Compound Name: | 2-[2-(6-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 546.69 |
| Molecular Formula: | C28 H22 N2 O4 S3 |
| Smiles: | CCOc1cccc2C3=C(C(C)(C)N(C(CN4C(c5cccc6cccc(C4=O)c56)=O)=O)c12)SSC3=S |
| Stereo: | ACHIRAL |
| logP: | 4.8093 |
| logD: | 4.8093 |
| logSw: | -5.2765 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 51.161 |
| InChI Key: | MQJGEZGTUZWIPH-UHFFFAOYSA-N |