(3-nitrophenyl)(4,4,6-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone
Chemical Structure Depiction of
(3-nitrophenyl)(4,4,6-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone
(3-nitrophenyl)(4,4,6-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone
Compound characteristics
| Compound ID: | 3389-0637 |
| Compound Name: | (3-nitrophenyl)(4,4,6-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: | Cc1cccc2C3=C(C(C)(C)N(C(c4cccc(c4)[N+]([O-])=O)=O)c12)SSC3=S |
| Stereo: | ACHIRAL |
| logP: | 4.6901 |
| logD: | 4.6901 |
| logSw: | -4.7013 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 48.973 |
| InChI Key: | SPJJIXIMWVBKLP-UHFFFAOYSA-N |