(4-nitrophenyl)(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone
Chemical Structure Depiction of
(4-nitrophenyl)(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone
(4-nitrophenyl)(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone
Compound characteristics
| Compound ID: | 3389-0594 |
| Compound Name: | (4-nitrophenyl)(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C20 H16 N2 O3 S3 |
| Smiles: | Cc1ccc2c(c1)C1=C(C(C)(C)N2C(c2ccc(cc2)[N+]([O-])=O)=O)SSC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.8845 |
| logD: | 4.8845 |
| logSw: | -4.6648 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 47.816 |
| InChI Key: | XJNUCMSXMDQUCM-UHFFFAOYSA-N |