867331-82-6
[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate
Molecular Identity
867331-82-6
[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate
PubChem CID: 11973736
2D Structure
Properties
C33H30ClN5O3
Molecular Formula
580.10
Molecular Weight
g/mol
579.2037
Exact Mass
Da
7
XLogP
Above Lipinski threshold
89.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
848
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
867331-82-6TG 100801TG100801TG-1008011VZO7A0J9SDTXSID20235791RefChem:897556DTXCID501582824-chloro-3-(5-methyl-3-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)amino)-1,2,4-benzotriazin-7-yl)phenyl benzoate4-Chloro-3-(5-methyl-3-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)amino)benzo[e][1,2,4]triazin-7-yl)phenyl benzoate[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate4-Chloro-3-(5-methyl-3-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-amino)benzo[e][1,2,4]triazin-7-yl)phenyl benzoateUNII-1VZO7A0J9SC33H30ClN5O3867331-82-6 (free base)
Data from PubChem (NCBI)
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