Molecules/7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-2-(oxan-4-ylsulfanylmethyl)-3H-quinazolin-4-one
7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-2-(oxan-4-ylsulfanylmethyl)-3H-quinazolin-4-one
7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-2-(oxan-4-ylsulfanylmethyl)-3H-quinazolin-4-one
Molecular Identity
7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-2-(oxan-4-ylsulfanylmethyl)-3H-quinazolin-4-one
7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-2-(oxan-4-ylsulfanylmethyl)-3H-quinazolin-4-one
PubChem CID: 138697188
2D Structure
Properties
C22H28FN3O4S
Molecular Formula
449.50
Molecular Weight
g/mol
449.1785
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
106
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
680
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)N1CCC(CC1)COC2=CC3=C(C(=C2)F)C(=O)NC(=N3)CSC4CCOCC4Isomeric SMILES
SMILES: CC(=O)N1CCC(CC1)COC2=CC3=C(C(=C2)F)C(=O)NC(=N3)CSC4CCOCC4Synonyms(12)
RBN-31432360853-16-1orb1685567orb2900624CHEMBL5880861SCHEMBL21072605SCHEMBL29603161DA-67128MS-28144HY-150207CS-06345687-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-2-(oxan-4-ylsulfanylmethyl)-3H-quinazolin-4-one
Data from PubChem (NCBI)
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Molecular Structure
7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-2-(oxan-4-ylsulfanylmethyl)-3H-quinazolin-4-one
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Drug Network
Trials and conditions connected to 7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-2-(oxan-4-ylsulfanylmethyl)-3H-quinazolin-4-one
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