{1-[(3-methoxyphenyl)imino]-4,4,7,8-tetramethyl-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}(3-nitrophenyl)methanone
Chemical Structure Depiction of
{1-[(3-methoxyphenyl)imino]-4,4,7,8-tetramethyl-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}(3-nitrophenyl)methanone
{1-[(3-methoxyphenyl)imino]-4,4,7,8-tetramethyl-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}(3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | Y020-5183 |
| Compound Name: | {1-[(3-methoxyphenyl)imino]-4,4,7,8-tetramethyl-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}(3-nitrophenyl)methanone |
| Molecular Weight: | 531.65 |
| Molecular Formula: | C28 H25 N3 O4 S2 |
| Smiles: | Cc1cc2C3=C(C(C)(C)N(C(c4cccc(c4)[N+]([O-])=O)=O)c2cc1C)SSC/3=N/c1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 6.6685 |
| logD: | 6.6685 |
| logSw: | -5.8 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.102 |
| InChI Key: | GHDLPBKSPLHVIA-UHFFFAOYSA-N |