4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
Chemical Structure Depiction of
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | K284-4059 |
| Compound Name: | 4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide |
| Molecular Weight: | 529.5 |
| Molecular Formula: | C25 H29 Br N4 O2 S |
| Smiles: | CC1CCN(CCCNC(c2ccc(CN3C(c4cc(ccc4NC3=S)[Br])=O)cc2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.489 |
| logD: | 2.0287 |
| logSw: | -4.0867 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.555 |
| InChI Key: | CTMZIBQWOSJUMY-UHFFFAOYSA-N |