(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(4-nitrophenyl)methanone
Chemical Structure Depiction of
(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(4-nitrophenyl)methanone
(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | 3389-0593 |
| Compound Name: | (4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(4-nitrophenyl)methanone |
| Molecular Weight: | 414.52 |
| Molecular Formula: | C19 H14 N2 O3 S3 |
| Smiles: | CC1(C)C2=C(C(=S)SS2)c2ccccc2N1C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4086 |
| logD: | 4.4086 |
| logSw: | -4.4627 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 47.816 |
| InChI Key: | VNMJLJKANRQHPI-UHFFFAOYSA-N |