N-(4-chloro-2-methylphenyl)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-imine
Chemical Structure Depiction of
N-(4-chloro-2-methylphenyl)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-imine
N-(4-chloro-2-methylphenyl)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-imine
Compound characteristics
| Compound ID: | 4181-2937 |
| Compound Name: | N-(4-chloro-2-methylphenyl)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-imine |
| Molecular Weight: | 416.99 |
| Molecular Formula: | C21 H21 Cl N2 O S2 |
| Smiles: | CCOc1ccc2c(c1)C1=C(C(C)(C)N2)SSC/1=N/c1ccc(cc1C)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.691 |
| logD: | 6.691 |
| logSw: | -6.4057 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.05 |
| InChI Key: | XRTZOICOIQEGIO-UHFFFAOYSA-N |