Tonabersat
N-[(3S,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-chloro-4-fluorobenzamide
Molecular Identity
Tonabersat
N-[(3S,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-chloro-4-fluorobenzamide
PubChem CID: 6918324
2D Structure
Properties
C20H19ClFNO4
Molecular Formula
391.80
Molecular Weight
g/mol
391.0987
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
75.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
586
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)C1=CC2=C(C=C1)OC(C(C2NC(=O)C3=CC(=C(C=C3)F)Cl)O)(C)CIsomeric SMILES
SMILES: CC(=O)C1=CC2=C(C=C1)OC([C@H]([C@H]2NC(=O)C3=CC(=C(C=C3)F)Cl)O)(C)CSynonyms(20)
Tonabersat175013-84-0SB-220453tonabersateSB 2204532XD9773ZMNDTXSID40169923N-((3S,4S)-6-Acetyl-3-hydroxy-2,2-dimethylchroman-4-yl)-3-chloro-4-fluorobenzamide6-acetyl-4-(3-chloro-4-fluorobenzoylamino)-3,4-dihydro-2,2-dimethyl-2H-benzo(b)pyran-3-olN-[(3S,4S)-6-Acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3-chloro-4-fluorobenzamidetonabersatumN-((3S,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-chloro-4-fluorobenzamideRefChem:190388DTXCID9092414998-857-7
Data from PubChem (NCBI)
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