2-(4-tert-butylphenyl)-4-[(2-phenoxyethyl)sulfanyl]pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
2-(4-tert-butylphenyl)-4-[(2-phenoxyethyl)sulfanyl]pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
2-(4-tert-butylphenyl)-4-[(2-phenoxyethyl)sulfanyl]pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-1687 |
| Compound Name: | 2-(4-tert-butylphenyl)-4-[(2-phenoxyethyl)sulfanyl]pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C23 H24 N4 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1=NC2=CC(NN2C(=N1)SCCOc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0733 |
| logD: | 5.0733 |
| logSw: | -4.6771 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.351 |
| InChI Key: | QJIJWKKGAYFEOJ-UHFFFAOYSA-N |