5-[(4-bromoanilino)methyl]-2-{[(2-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(4-bromoanilino)methyl]-2-{[(2-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(4-bromoanilino)methyl]-2-{[(2-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0337 |
| Compound Name: | 5-[(4-bromoanilino)methyl]-2-{[(2-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 455.31 |
| Molecular Formula: | C20 H19 Br N6 O2 |
| Smiles: | COc1ccccc1CNc1nc2NC(CNc3ccc(cc3)[Br])=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7427 |
| logD: | 3.4569 |
| logSw: | -4.1647 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.846 |
| InChI Key: | DEMVMBUXBMRWAK-UHFFFAOYSA-N |