N-{3-[benzyl(methyl)amino]propyl}-4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-{3-[benzyl(methyl)amino]propyl}-4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
N-{3-[benzyl(methyl)amino]propyl}-4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-4000 |
| Compound Name: | N-{3-[benzyl(methyl)amino]propyl}-4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide |
| Molecular Weight: | 551.5 |
| Molecular Formula: | C27 H27 Br N4 O2 S |
| Smiles: | CN(CCCNC(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6871 |
| logD: | 3.246 |
| logSw: | -4.2632 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.667 |
| InChI Key: | UUPAOBCAVNKZEH-UHFFFAOYSA-N |