2-[(4-bromoanilino)methyl]-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-[(4-bromoanilino)methyl]-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-[(4-bromoanilino)methyl]-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1527 |
| Compound Name: | 2-[(4-bromoanilino)methyl]-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 438.33 |
| Molecular Formula: | C21 H20 Br N5 O |
| Smiles: | CC1=C(Cc2ccc(C)cc2)C(n2c(N1)nc(CNc1ccc(cc1)[Br])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.612 |
| logD: | 3.4916 |
| logSw: | -4.4084 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.477 |
| InChI Key: | ABXZKLKYXZTHGA-UHFFFAOYSA-N |