Apararenone
N-[4-(4-fluorophenyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide
Molecular Identity
Apararenone
N-[4-(4-fluorophenyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide
PubChem CID: 24744336
2D Structure
Properties
C17H17FN2O4S
Molecular Formula
364.40
Molecular Weight
g/mol
364.0893
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
84.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
611
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C(=O)N(C2=C(O1)C=C(C=C2)NS(=O)(=O)C)C3=CC=C(C=C3)F)CIsomeric SMILES
SMILES: CC1(C(=O)N(C2=C(O1)C=C(C=C2)NS(=O)(=O)C)C3=CC=C(C=C3)F)CSynonyms(20)
945966-46-1MT-3995apararenona832663U2NBDTXSID401337181N-(4-(4-Fluorophenyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)methanesulfonamideMethanesulfonamide, N-(4-(4-fluorophenyl)-3,4-dihydro-2,2-dimethyl-3-oxo-2H-1,4-benzoxazin-7-yl)-N-[4-(4-fluorophenyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl]methanesulfonamideapararenonumRefChem:113292DTXCID901767547N-(4-(4-Fluorophenyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-yl)methanesulfonamideCHEMBL2181929N-[4-(4-fluorophenyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamideMT3995
Data from PubChem (NCBI)
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