2-(benzylsulfanyl)-5-methyl-6-(3-methylbutyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-5-methyl-6-(3-methylbutyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(benzylsulfanyl)-5-methyl-6-(3-methylbutyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D718-0240 |
| Compound Name: | 2-(benzylsulfanyl)-5-methyl-6-(3-methylbutyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 342.46 |
| Molecular Formula: | C18 H22 N4 O S |
| Smiles: | CC(C)CCC1=C(C)Nc2nc(nn2C1=O)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2444 |
| logD: | 4.0733 |
| logSw: | -4.1532 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.974 |
| InChI Key: | BXBPKXROVUWPCL-UHFFFAOYSA-N |