5-{[(4-chlorophenyl)methyl]sulfanyl}-2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
5-{[(4-chlorophenyl)methyl]sulfanyl}-2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazoline
5-{[(4-chlorophenyl)methyl]sulfanyl}-2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | K280-0549 |
| Compound Name: | 5-{[(4-chlorophenyl)methyl]sulfanyl}-2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 448.98 |
| Molecular Formula: | C23 H21 Cl N6 S |
| Smiles: | Cc1c(CCc2nc3c4ccccc4nc(n3n2)SCc2ccc(cc2)[Cl])c(C)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 5.178 |
| logD: | 4.2966 |
| logSw: | -5.6616 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.703 |
| InChI Key: | SETBCWUWGWFMNC-UHFFFAOYSA-N |