4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[3-(pyrrolidin-1-yl)propyl]benzamide
Chemical Structure Depiction of
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[3-(pyrrolidin-1-yl)propyl]benzamide
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[3-(pyrrolidin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | K284-3994 |
| Compound Name: | 4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[3-(pyrrolidin-1-yl)propyl]benzamide |
| Molecular Weight: | 501.44 |
| Molecular Formula: | C23 H25 Br N4 O2 S |
| Smiles: | C1CCN(C1)CCCNC(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7341 |
| logD: | 0.7016 |
| logSw: | -3.9948 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.921 |
| InChI Key: | RYSRWADAWZFAAL-UHFFFAOYSA-N |