6-benzyl-2-{[(4-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-benzyl-2-{[(4-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-benzyl-2-{[(4-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D043-0115 |
| Compound Name: | 6-benzyl-2-{[(4-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 424.3 |
| Molecular Formula: | C20 H18 Br N5 O |
| Smiles: | CC1=C(Cc2ccccc2)C(n2c(N1)nc(NCc1ccc(cc1)[Br])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1248 |
| logD: | 4.1133 |
| logSw: | -4.2803 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.62 |
| InChI Key: | VBKNJOZUFMIQSM-UHFFFAOYSA-N |