ethyl ({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetate
ethyl ({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | C445-0245 |
| Compound Name: | ethyl ({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetate |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C22 H26 N6 O4 S |
| Smiles: | CCOC(CSc1nc2cc(c(cc2c2nc(CCn3c(C)cc(C)n3)nn12)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2758 |
| logD: | 2.1587 |
| logSw: | -2.2495 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.464 |
| InChI Key: | IJNOBIBKRMHDFP-UHFFFAOYSA-N |