3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0167 |
| Compound Name: | 3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 365.45 |
| Molecular Formula: | C20 H19 N3 O2 S |
| Smiles: | C(CN1C(c2ccccc2NC1=S)=O)C(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0055 |
| logD: | 3.0041 |
| logSw: | -3.4935 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.351 |
| InChI Key: | SQIDHDVWAGESCT-UHFFFAOYSA-N |