6-butyl-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-butyl-2-{[(2-chloro-6-fluorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-butyl-2-{[(2-chloro-6-fluorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D298-0211 |
| Compound Name: | 6-butyl-2-{[(2-chloro-6-fluorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 363.82 |
| Molecular Formula: | C17 H19 Cl F N5 O |
| Smiles: | CCCCC1=C(C)Nc2nc(NCc3c(cccc3[Cl])F)nn2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.3109 |
| logD: | 4.2756 |
| logSw: | -4.476 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.892 |
| InChI Key: | BLWBSADVUDKERE-UHFFFAOYSA-N |