6-benzyl-2-{[(2-chloro-6-fluorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-benzyl-2-{[(2-chloro-6-fluorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-benzyl-2-{[(2-chloro-6-fluorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D043-0111 |
| Compound Name: | 6-benzyl-2-{[(2-chloro-6-fluorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 397.84 |
| Molecular Formula: | C20 H17 Cl F N5 O |
| Smiles: | CC1=C(Cc2ccccc2)C(n2c(N1)nc(NCc1c(cccc1[Cl])F)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1896 |
| logD: | 4.178 |
| logSw: | -4.4076 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.62 |
| InChI Key: | SGCNCUFMQQHBGC-UHFFFAOYSA-N |