7,8-dimethoxy-2-(2-methoxy-5-methylphenyl)-3-sulfanylidene-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one
Chemical Structure Depiction of
7,8-dimethoxy-2-(2-methoxy-5-methylphenyl)-3-sulfanylidene-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one
7,8-dimethoxy-2-(2-methoxy-5-methylphenyl)-3-sulfanylidene-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one
Compound characteristics
| Compound ID: | 8249-4028 |
| Compound Name: | 7,8-dimethoxy-2-(2-methoxy-5-methylphenyl)-3-sulfanylidene-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | Cc1ccc(c(c1)N1C(C2Cc3cc(c(cc3CN2C1=S)OC)OC)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7374 |
| logD: | 2.7374 |
| logSw: | -3.0045 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 41.29 |
| InChI Key: | LYRIQEWZHJBTTC-MRXNPFEDSA-N |