5-{[(4-tert-butylphenyl)methyl]sulfanyl}-8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
5-{[(4-tert-butylphenyl)methyl]sulfanyl}-8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazoline
5-{[(4-tert-butylphenyl)methyl]sulfanyl}-8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | C445-0075 |
| Compound Name: | 5-{[(4-tert-butylphenyl)methyl]sulfanyl}-8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 484.62 |
| Molecular Formula: | C28 H28 N4 O2 S |
| Smiles: | CC(C)(C)c1ccc(CSc2nc3cc(c(cc3c3nc(c4ccccc4)nn23)OC)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.8385 |
| logD: | 6.821 |
| logSw: | -5.8918 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.058 |
| InChI Key: | GPMNYHAHDZFJDG-UHFFFAOYSA-N |