2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[2-(1H-indol-3-yl)ethyl]acetamide
Chemical Structure Depiction of
2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[2-(1H-indol-3-yl)ethyl]acetamide
2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[2-(1H-indol-3-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | 8019-8147 |
| Compound Name: | 2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[2-(1H-indol-3-yl)ethyl]acetamide |
| Molecular Weight: | 462.5 |
| Molecular Formula: | C23 H19 F N6 O2 S |
| Smiles: | C(CNC(CSC1NC(n2c(c(cn2)c2ccc(cc2)F)N=1)=O)=O)c1c[nH]c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.4746 |
| logD: | 3.4575 |
| logSw: | -3.7007 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.475 |
| InChI Key: | RJQHBTSWJYITJK-UHFFFAOYSA-N |