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Home Other Building Blocks Thieno[3,2-c]pyridin-2(4H)-one, 5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-5,6,7,7a-tetrahydro-

Thieno[3,2-c]pyridin-2(4H)-one, 5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-5,6,7,7a-tetrahydro-

CAS No.:
150322-38-6
Catalog Number:
AG001MIN
Molecular Formula:
C18H18FNO2S
Molecular Weight:
331.4044
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Product Description
Catalog Number:
AG001MIN
Chemical Name:
Thieno[3,2-c]pyridin-2(4H)-one, 5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-5,6,7,7a-tetrahydro-
CAS Number:
150322-38-6
Molecular Formula:
C18H18FNO2S
Molecular Weight:
331.4044
MDL Number:
MFCD00920409
IUPAC Name:
5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one
InChI:
InChI=1S/C18H18FNO2S/c19-14-4-2-1-3-13(14)17(18(22)11-5-6-11)20-8-7-15-12(10-20)9-16(21)23-15/h1-4,9,11,15,17H,5-8,10H2
InChI Key:
MJAMUSZUMAHFLH-UHFFFAOYSA-N
SMILES:
O=C1C=C2C(S1)CCN(C2)C(c1ccccc1F)C(=O)C1CC1
Properties
Complexity:
545  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.104g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.405g/mol
Monoisotopic Mass:
331.104g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
The intestine as an important contributor to prasugrel active metabolite formation in vivo. Drug metabolism and disposition: the biological fate of chemicals 20110401
Properties