N-(4-bromophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
N-(4-bromophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K280-0580 |
| Compound Name: | N-(4-bromophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide |
| Molecular Weight: | 536.45 |
| Molecular Formula: | C24 H22 Br N7 O S |
| Smiles: | Cc1c(CCc2nc3c4ccccc4nc(n3n2)SCC(Nc2ccc(cc2)[Br])=O)c(C)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0926 |
| logD: | 4.5198 |
| logSw: | -5.0335 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.852 |
| InChI Key: | FVUWTIABARQQOT-UHFFFAOYSA-N |