6-[2-(4-bromophenyl)-2-oxoethyl]-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
Chemical Structure Depiction of
6-[2-(4-bromophenyl)-2-oxoethyl]-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
6-[2-(4-bromophenyl)-2-oxoethyl]-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
Compound characteristics
| Compound ID: | C695-0099 |
| Compound Name: | 6-[2-(4-bromophenyl)-2-oxoethyl]-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one |
| Molecular Weight: | 505.37 |
| Molecular Formula: | C24 H21 Br N6 O2 |
| Smiles: | Cc1cc(C)n(CCc2nc3c4ccccc4N(CC(c4ccc(cc4)[Br])=O)C(n3n2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2301 |
| logD: | 3.2285 |
| logSw: | -3.6703 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.318 |
| InChI Key: | RIEFGJXHFPZUDB-UHFFFAOYSA-N |