5-[(4-bromoanilino)methyl]-2-{[(4-ethylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(4-bromoanilino)methyl]-2-{[(4-ethylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(4-bromoanilino)methyl]-2-{[(4-ethylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
Compound ID: | D412-0487 |
Compound Name: | 5-[(4-bromoanilino)methyl]-2-{[(4-ethylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
Molecular Weight: | 453.34 |
Molecular Formula: | C21 H21 Br N6 O |
Smiles: | CCc1ccc(CNc2nc3NC(CNc4ccc(cc4)[Br])=CC(n3n2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.452 |
logD: | 4.1662 |
logSw: | -4.3121 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 73.215 |
InChI Key: | WHUUGPJIIMAHLK-UHFFFAOYSA-N |