7,8-dimethoxy-3-sulfanylidene-2-[3-(trifluoromethyl)phenyl]-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one
Chemical Structure Depiction of
7,8-dimethoxy-3-sulfanylidene-2-[3-(trifluoromethyl)phenyl]-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one
7,8-dimethoxy-3-sulfanylidene-2-[3-(trifluoromethyl)phenyl]-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one
Compound characteristics
| Compound ID: | 8249-4023 |
| Compound Name: | 7,8-dimethoxy-3-sulfanylidene-2-[3-(trifluoromethyl)phenyl]-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one |
| Molecular Weight: | 422.42 |
| Molecular Formula: | C20 H17 F3 N2 O3 S |
| Smiles: | COc1cc2CC3C(N(C(N3Cc2cc1OC)=S)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2573 |
| logD: | 3.2573 |
| logSw: | -3.3517 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 33.961 |
| InChI Key: | HKQIMLQVDKTMCZ-OAHLLOKOSA-N |