6-benzyl-5-methyl-2-({[4-(methylsulfanyl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-benzyl-5-methyl-2-({[4-(methylsulfanyl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-benzyl-5-methyl-2-({[4-(methylsulfanyl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D298-0542 |
| Compound Name: | 6-benzyl-5-methyl-2-({[4-(methylsulfanyl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C21 H21 N5 O S |
| Smiles: | CC1=C(Cc2ccccc2)C(n2c(N1)nc(NCc1ccc(cc1)SC)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0103 |
| logD: | 3.9987 |
| logSw: | -4.167 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.62 |
| InChI Key: | FPDZNTUTTIWCJW-UHFFFAOYSA-N |