5-[(2,4-dimethylanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2,4-dimethylanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2,4-dimethylanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0286 |
| Compound Name: | 5-[(2,4-dimethylanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C21 H21 F N6 O |
| Smiles: | Cc1ccc(c(C)c1)NCC1=CC(n2c(N1)nc(NCc1ccc(cc1)F)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4968 |
| logD: | 3.2104 |
| logSw: | -3.5868 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.518 |
| InChI Key: | VNUCVVDLYOECNP-UHFFFAOYSA-N |