2-(4-tert-butylphenyl)-4-{[2-(2-chlorophenoxy)ethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
2-(4-tert-butylphenyl)-4-{[2-(2-chlorophenoxy)ethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
2-(4-tert-butylphenyl)-4-{[2-(2-chlorophenoxy)ethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-1699 |
| Compound Name: | 2-(4-tert-butylphenyl)-4-{[2-(2-chlorophenoxy)ethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 454.98 |
| Molecular Formula: | C23 H23 Cl N4 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1=NC2=CC(NN2C(=N1)SCCOc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4326 |
| logD: | 5.4326 |
| logSw: | -5.8863 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.437 |
| InChI Key: | HAIRHGMORQHTJI-UHFFFAOYSA-N |