6-bromo-3-[6-(3,4-dihydroisoquinolin-2(1H)-yl)-6-oxohexyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-bromo-3-[6-(3,4-dihydroisoquinolin-2(1H)-yl)-6-oxohexyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-bromo-3-[6-(3,4-dihydroisoquinolin-2(1H)-yl)-6-oxohexyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4145 |
| Compound Name: | 6-bromo-3-[6-(3,4-dihydroisoquinolin-2(1H)-yl)-6-oxohexyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 486.43 |
| Molecular Formula: | C23 H24 Br N3 O2 S |
| Smiles: | C(CCC(N1CCc2ccccc2C1)=O)CCN1C(c2cc(ccc2NC1=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8615 |
| logD: | 4.7967 |
| logSw: | -4.5529 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.351 |
| InChI Key: | XQYGWUPFZXUJJU-UHFFFAOYSA-N |