6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
Chemical Structure Depiction of
6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
Compound characteristics
| Compound ID: | G861-0164 |
| Compound Name: | 6-[2-(2,4-dimethylphenyl)-2-oxoethyl]-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one |
| Molecular Weight: | 514.58 |
| Molecular Formula: | C28 H30 N6 O4 |
| Smiles: | Cc1ccc(C(CN2C(n3c(c4cc(c(cc24)OC)OC)nc(CCn2c(C)cc(C)n2)n3)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6895 |
| logD: | 3.6879 |
| logSw: | -3.8559 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.579 |
| InChI Key: | VRRYUNDTLAYOPD-UHFFFAOYSA-N |