5-[(4-bromoanilino)methyl]-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(4-bromoanilino)methyl]-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(4-bromoanilino)methyl]-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0437 |
| Compound Name: | 5-[(4-bromoanilino)methyl]-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 467.37 |
| Molecular Formula: | C22 H23 Br N6 O |
| Smiles: | CC(C)c1ccc(CNc2nc3NC(CNc4ccc(cc4)[Br])=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8596 |
| logD: | 4.5738 |
| logSw: | -4.5572 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.215 |
| InChI Key: | LYUYRJSXFQWONS-UHFFFAOYSA-N |