4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[4-(3-chlorophenyl)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-(3-chlorophenyl)piperazin-1-yl]propyl}benzamide
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}benzamide
Compound characteristics
| Compound ID: | K284-3996 |
| Compound Name: | 4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}benzamide |
| Molecular Weight: | 627 |
| Molecular Formula: | C29 H29 Br Cl N5 O2 S |
| Smiles: | C(CNC(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O)CN1CCN(CC1)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3056 |
| logD: | 4.7617 |
| logSw: | -5.7691 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.816 |
| InChI Key: | VHJDXXNFVZIHII-UHFFFAOYSA-N |