1-(4-bromophenyl)-2-[(8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-[(8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethan-1-one
1-(4-bromophenyl)-2-[(8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | C445-0086 |
| Compound Name: | 1-(4-bromophenyl)-2-[(8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 535.42 |
| Molecular Formula: | C25 H19 Br N4 O3 S |
| Smiles: | COc1cc2c(cc1OC)nc(n1c2nc(c2ccccc2)n1)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6806 |
| logD: | 5.6742 |
| logSw: | -5.6561 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.305 |
| InChI Key: | WLCFHOQKSPUGQA-UHFFFAOYSA-N |