2-(4-nitrophenyl)-3-sulfanylidene-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one
Chemical Structure Depiction of
2-(4-nitrophenyl)-3-sulfanylidene-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one
2-(4-nitrophenyl)-3-sulfanylidene-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one
Compound characteristics
| Compound ID: | K266-0005 |
| Compound Name: | 2-(4-nitrophenyl)-3-sulfanylidene-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one |
| Molecular Weight: | 339.37 |
| Molecular Formula: | C17 H13 N3 O3 S |
| Smiles: | C1C2C(N(C(N2Cc2ccccc12)=S)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9006 |
| logD: | 2.9006 |
| logSw: | -3.2676 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.082 |
| InChI Key: | YSWFCMAVFGVKBD-OAHLLOKOSA-N |