Brilaroxazine
6-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-4H-1,4-benzoxazin-3-one
Molecular Identity
Brilaroxazine
6-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-4H-1,4-benzoxazin-3-one
PubChem CID: 46861612
2D Structure
Properties
C22H25Cl2N3O3
Molecular Formula
450.40
Molecular Weight
g/mol
449.1273
Exact Mass
Da
4.4
XLogP
Drug-like (Lipinski: < 5)
54
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
562
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Brilaroxazine1239729-06-6X8L60BA01IRP-5063BRILAROXAZINE [INN]2H-1,4-Benzoxazin-3(4H)-one, 6-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]-6-(4-(4-(2,3-Dichlorophenyl)-piperazin-1-yl)-butoxy)-2H-benzo(b)(1,4)oxazin-3(4H)-oneBRILAROXAZINE [WHO-DD]2H-1,4-Benzoxazin-3(4H)-one, 6-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-6-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)-2H-benzo(b)(1,4)oxazin-3(4H)-one6-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)-2h-benzo[b][1,4]oxazin-3(4h)-onebrilaroxazinabrilaroxazinum6-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)-3,4-dihydro-2H-1,4-benzoxazin-3-one6-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one
Data from PubChem (NCBI)
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