4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[4-(4-methoxyphenyl)piperazin-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-(4-methoxyphenyl)piperazin-1-yl]propyl}benzamide
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}benzamide
Compound characteristics
| Compound ID: | K284-3997 |
| Compound Name: | 4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}benzamide |
| Molecular Weight: | 622.58 |
| Molecular Formula: | C30 H32 Br N5 O3 S |
| Smiles: | COc1ccc(cc1)N1CCN(CCCNC(c2ccc(CN3C(c4cc(ccc4NC3=S)[Br])=O)cc2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.8259 |
| logD: | 4.282 |
| logSw: | -4.4517 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.359 |
| InChI Key: | SXSDZMFKVNRALK-UHFFFAOYSA-N |