3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0120 |
| Compound Name: | 3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 351.43 |
| Molecular Formula: | C19 H17 N3 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(CN1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7511 |
| logD: | 2.7505 |
| logSw: | -3.4284 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.372 |
| InChI Key: | YHOGIKJKWPQKBZ-UHFFFAOYSA-N |