Eleclazine
4-(pyrimidin-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one
Molecular Identity
Eleclazine
4-(pyrimidin-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one
PubChem CID: 71183216
2D Structure
Properties
C21H16F3N3O3
Molecular Formula
415.40
Molecular Weight
g/mol
415.1144
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
64.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
578
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Eleclazine1443211-72-0GS-6615EleclazinaPUY08529FK4-(pyrimidin-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one1,4-Benzoxazepin-5(2H)-one, 3,4-dihydro-4-(2-pyrimidinylmethyl)-7-(4-(trifluoromethoxy)phenyl)-1,4-Benzoxazepin-5(2H)-one, 3,4-dihydro-4-(2-pyrimidinylmethyl)-7-[4-(trifluoromethoxy)phenyl]-eleclazinum4-(pyrimidin-2-ylmethyl)-7-(4-(trifluoromethoxy)phenyl)-2,3-dihydro-1,4-benzoxazepin-5-oneRefChem:5906984-((pyrimidin-2-yl)methyl)-7-(4-(trifluoromethoxy)phenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one4-(pyrimidin-2-ylmethyl)-7-(4-(trifluoromethoxy)phenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-oneEleclazine [INN]MFCD28963966
Data from PubChem (NCBI)
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