1-(7-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one
Chemical Structure Depiction of
1-(7-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one
1-(7-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y020-7889 |
| Compound Name: | 1-(7-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one |
| Molecular Weight: | 343.36 |
| Molecular Formula: | C15 H13 N5 O3 S |
| Smiles: | CC(c1cnc2nc(nn2c1C)SCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8529 |
| logD: | 1.8529 |
| logSw: | -2.436 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.979 |
| InChI Key: | JVVNHOVEWWEAJO-UHFFFAOYSA-N |