3-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6767 |
| Compound Name: | 3-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C21 H17 N5 O2 S |
| Smiles: | C1CN(C(CSc2nnc3NC(C=C(c4ccccc4)n23)=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.7003 |
| logD: | 2.6933 |
| logSw: | -3.1519 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.258 |
| InChI Key: | MEZMYPWFOZXYCH-UHFFFAOYSA-N |