3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-2394 |
| Compound Name: | 3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C21 H21 N3 O2 S |
| Smiles: | C(CC(N1CCc2ccccc2C1)=O)CN1C(c2ccccc2NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0117 |
| logD: | 3.0106 |
| logSw: | -3.4914 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.351 |
| InChI Key: | PCJQPZPSCMTEDI-UHFFFAOYSA-N |