2-{[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]methyl}-7-bromo-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]methyl}-7-bromo-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]methyl}-7-bromo-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | K784-7504 |
| Compound Name: | 2-{[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]methyl}-7-bromo-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 507.41 |
| Molecular Formula: | C23 H19 Br N6 O S |
| Smiles: | Cc1c(Cc2ccccc2)c(C)n2c(n1)nc(n2)SCC1=CC(N2C=C(C=CC2=N1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4772 |
| logD: | 3.4772 |
| logSw: | -3.7748 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.06 |
| InChI Key: | WBXQKLFOIMNICY-UHFFFAOYSA-N |