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
Available: 204 mg
Amount:
mg
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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
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