N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F424-1151 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C23 H27 N5 O4 S |
| Smiles: | COc1ccc(cc1OC)c1cc2C(NN=C(n2n1)SCC(NCCC1CCCCC=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8139 |
| logD: | 2.8123 |
| logSw: | -3.37 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.08 |
| InChI Key: | PIESPTWICRWPOC-UHFFFAOYSA-N |