2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5-{[(3-methoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5-{[(3-methoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5-{[(3-methoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | K280-0539 |
| Compound Name: | 2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5-{[(3-methoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 444.56 |
| Molecular Formula: | C24 H24 N6 O S |
| Smiles: | Cc1cc(C)n(CCc2nc3c4ccccc4nc(n3n2)SCc2cccc(c2)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.0338 |
| logD: | 3.8199 |
| logSw: | -4.1767 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.317 |
| InChI Key: | NTGGDWBUCIHDAG-UHFFFAOYSA-N |