5-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Chemical Structure Depiction of
5-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
5-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Compound characteristics
| Compound ID: | G647-0601 |
| Compound Name: | 5-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C19 H15 N7 O S2 |
| Smiles: | Cn1c(c2cccs2)nnc1SCC1=CC(N2C(NC(c3ccccc3)=N2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7052 |
| logD: | 2.7052 |
| logSw: | -3.2126 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.027 |
| InChI Key: | VDVXPHQFFYBSQU-UHFFFAOYSA-N |