Tegoprazan
7-[[(4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-yl]oxy]-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide
Molecular Identity
Tegoprazan
7-[[(4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-yl]oxy]-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide
PubChem CID: 23582846
2D Structure
Properties
C20H19F2N3O3
Molecular Formula
387.40
Molecular Weight
g/mol
387.1394
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
67.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
581
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NC2=C(N1)C=C(C=C2OC3CCOC4=C3C(=CC(=C4)F)F)C(=O)N(C)CIsomeric SMILES
SMILES: CC1=NC2=C(N1)C=C(C=C2O[C@H]3CCOC4=C3C(=CC(=C4)F)F)C(=O)N(C)CSynonyms(20)
Tegoprazan942195-55-3CJ-124207-[[(4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-yl]oxy]-N,N,2-trimethyl-3H-benzimidazole-5-carboxamideLXI-15028W017G7IF4SK-CAB(S)-4-((5,7-Difluorochroman-4-yl)oxy)-N,N,2-trimethyl-1H-benzo[d]imidazole-6-carboxamide(S)-4-((5,7-difluorochroman-4-yl)oxy)-N,N,2-trimethyl-1H-benzo(d)imidazole-6-carboxamide1H-Benzimidazole-5-carboxamide, 7-(((4S)-5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-yl)oxy)-N,N,2-trimethyl-7-(((4S)-5,7-Difluoro-3,4-dihydro-2H-chromen-4-yl)oxy)-N,N,2-trimethyl-1H-benzimidazole-5-carboxamidetegoprazanum1H-Benzimidazole-5-carboxamide, 7-[[(4S)-5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-N,N,2-trimethyl-7-(((4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)oxy)-N,N,2-trimethyl-3H-benzimidazole-5-carboxamideRefChem:187715
Data from PubChem (NCBI)
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