5-[(3-chloro-2-methylanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(3-chloro-2-methylanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(3-chloro-2-methylanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0300 |
| Compound Name: | 5-[(3-chloro-2-methylanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 412.85 |
| Molecular Formula: | C20 H18 Cl F N6 O |
| Smiles: | Cc1c(cccc1[Cl])NCC1=CC(n2c(N1)nc(NCc1ccc(cc1)F)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7631 |
| logD: | 3.4773 |
| logSw: | -4.0232 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.518 |
| InChI Key: | MLVDNZUXCCDFDI-UHFFFAOYSA-N |