2-(4-tert-butylphenyl)-4-{[3-(3,4-dimethylphenoxy)propyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
2-(4-tert-butylphenyl)-4-{[3-(3,4-dimethylphenoxy)propyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
2-(4-tert-butylphenyl)-4-{[3-(3,4-dimethylphenoxy)propyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-1703 |
| Compound Name: | 2-(4-tert-butylphenyl)-4-{[3-(3,4-dimethylphenoxy)propyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 462.61 |
| Molecular Formula: | C26 H30 N4 O2 S |
| Smiles: | Cc1ccc(cc1C)OCCCSC1=NC(c2ccc(cc2)C(C)(C)C)=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7108 |
| logD: | 6.7108 |
| logSw: | -5.5238 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.351 |
| InChI Key: | DNBPCNMBFJXBPJ-UHFFFAOYSA-N |