BALCINRENONE
2-[(3S)-7-fluoro-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-methylacetamide
Molecular Identity
BALCINRENONE
2-[(3S)-7-fluoro-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-methylacetamide
PubChem CID: 118599727
2D Structure
Properties
C20H18FN3O5
Molecular Formula
399.40
Molecular Weight
g/mol
399.1230
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
97
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
662
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
BALCINRENONE1850385-64-6AZD9977AZD-9977Azd 99776C9UKZ0CYE2-[(3S)-7-Fluoro-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-methylacetamide2H-1,4-Benzoxazine-3-acetamide, 4-((3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)carbonyl)-7-fluoro-3,4-dihydro-N-methyl-, (3S)-2-((3S)-7-fluoro-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl)-N-methylacetamideRefChem:1160592-((3S)-7-fluoro-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-methylacetamideUNII-6C9UKZ0CYE(S)-2-(7-Fluoro-4-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-3-yl)-N-methylacetamide2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamideBalcinrenona
Data from PubChem (NCBI)
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