5-{[(3-chlorophenyl)methyl]sulfanyl}-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
5-{[(3-chlorophenyl)methyl]sulfanyl}-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazoline
5-{[(3-chlorophenyl)methyl]sulfanyl}-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | C445-0236 |
| Compound Name: | 5-{[(3-chlorophenyl)methyl]sulfanyl}-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 509.03 |
| Molecular Formula: | C25 H25 Cl N6 O2 S |
| Smiles: | Cc1cc(C)n(CCc2nc3c4cc(c(cc4nc(n3n2)SCc2cccc(c2)[Cl])OC)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.3221 |
| logD: | 4.08 |
| logSw: | -4.4564 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.034 |
| InChI Key: | MJEQDMLSDIZQPE-UHFFFAOYSA-N |