4-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-2-(2-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
4-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-2-(2-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
4-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-2-(2-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-0936 |
| Compound Name: | 4-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-2-(2-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C21 H16 F N5 O2 S |
| Smiles: | C1CN(C(CSC2=NC(c3ccccc3F)=NC3=CC(NN23)=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.7439 |
| logD: | 2.7439 |
| logSw: | -3.5453 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.356 |
| InChI Key: | AHKPXXWUPLSBKR-UHFFFAOYSA-N |