3-{[(3-nitrophenyl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-{[(3-nitrophenyl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-{[(3-nitrophenyl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6822 |
| Compound Name: | 3-{[(3-nitrophenyl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 379.4 |
| Molecular Formula: | C18 H13 N5 O3 S |
| Smiles: | C(c1cccc(c1)[N+]([O-])=O)Sc1nnc2NC(C=C(c3ccccc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0654 |
| logD: | 3.0585 |
| logSw: | -3.5 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.216 |
| InChI Key: | DDCAZUQKVURNDR-UHFFFAOYSA-N |