879409-35-5
3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2,2-dimethylpropanoic acid
Molecular Identity
879409-35-5
3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2,2-dimethylpropanoic acid
PubChem CID: 11567064
2D Structure
Properties
C22H25N3O3
Molecular Formula
379.50
Molecular Weight
g/mol
379.1896
Exact Mass
Da
0.6
XLogP
Drug-like (Lipinski: < 5)
65.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
598
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
879409-35-5LY-2624803LY2624803DB-71-Piperazinepropanoic acid, 4-dibenz(b,f)(1,4)oxazepin-11-yl-alpha,alpha-dimethyl-HY-1027563J9EQ81YCHY10275 BASE3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2,2-dimethylpropanoic acid3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acidUNII-63J9EQ81YCSCHEMBL379812orb1703127CHEMBL5314393SCHEMBL31208381
Data from PubChem (NCBI)
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