Turofexorate Isopropyl
propan-2-yl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate
Molecular Identity
Turofexorate Isopropyl
propan-2-yl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate
PubChem CID: 10026128
Turofexorate isopropyl is a member of indoles.
2D Structure
Properties
C25H24F2N2O3
Molecular Formula
438.50
Molecular Weight
g/mol
438.1755
Exact Mass
Da
5.1
XLogP
Above Lipinski threshold
62.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
768
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)OC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)C4=CC(=C(C=C4)F)FIsomeric SMILES
SMILES: CC(C)OC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)C4=CC(=C(C=C4)F)FSynonyms(20)
Turofexorate isopropyl629664-81-9WAY-362450XL335isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylateFXR-450S6KDM312I5XL-335Turofexorate d'isopropyleTurofexorato de isopropiloDTXSID90978825ISOPROPYL 3-(3,4-DIFLUOROBENZOYL)-1,1-DIMETHYL-1,2,3,6-TETRAHYDROAZEPINO(4,5-B)INDOLE-5-CARBOXYLATEturofexoras isopropylisRefChem:900770DTXCID701406133
Data from PubChem (NCBI)
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Drug Network
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