2-[(4-bromoanilino)methyl]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-[(4-bromoanilino)methyl]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-[(4-bromoanilino)methyl]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1737 |
| Compound Name: | 2-[(4-bromoanilino)methyl]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 362.23 |
| Molecular Formula: | C15 H16 Br N5 O |
| Smiles: | CCCC1=CC(n2c(N1)nc(CNc1ccc(cc1)[Br])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3014 |
| logD: | 0.4675 |
| logSw: | -3.582 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.837 |
| InChI Key: | HWHPFJTWYIDPNH-UHFFFAOYSA-N |