N-(4-bromophenyl)-2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
N-(4-bromophenyl)-2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D308-0250 |
| Compound Name: | N-(4-bromophenyl)-2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide |
| Molecular Weight: | 441.35 |
| Molecular Formula: | C20 H17 Br N4 O S |
| Smiles: | Cc1cc2nnc(n2c2c(C)cccc12)SCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2623 |
| logD: | 5.2622 |
| logSw: | -5.3543 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.007 |
| InChI Key: | IPZLJPYVNWRPMT-UHFFFAOYSA-N |