2-[(2-benzyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-bromophenyl)ethan-1-one
Chemical Structure Depiction of
2-[(2-benzyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-bromophenyl)ethan-1-one
2-[(2-benzyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-bromophenyl)ethan-1-one
Compound characteristics
| Compound ID: | K280-0029 |
| Compound Name: | 2-[(2-benzyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-bromophenyl)ethan-1-one |
| Molecular Weight: | 489.39 |
| Molecular Formula: | C24 H17 Br N4 O S |
| Smiles: | C(c1ccccc1)c1nc2c3ccccc3nc(n2n1)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8427 |
| logD: | 5.8387 |
| logSw: | -6.2033 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.034 |
| InChI Key: | JPCIBROBQZYVJY-UHFFFAOYSA-N |