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Home > Fluorides > 1391194-39-0
1391194-39-0 | Ethanone, 2-[2-(acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-cyclopropyl-2-(3-fluorophenyl)-
CAS No: 1391194-39-0 Catalog No: AG001ABK MDL No:
Product Description
Catalog Number:
AG001ABK
Chemical Name:
Ethanone, 2-[2-(acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-cyclopropyl-2-(3-fluorophenyl)-
CAS Number:
1391194-39-0
Molecular Formula:
C20H20FNO3S
Molecular Weight:
373.4411
IUPAC Name:
[5-[2-cyclopropyl-1-(3-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
InChI:
InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-15-11-22(8-7-17(15)26-18)19(20(24)13-5-6-13)14-3-2-4-16(21)9-14/h2-4,9-10,13,19H,5-8,11H2,1H3
InChI Key:
IMTFHRNDRHBYGI-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1sc2c(c1)CN(CC2)C(C(=O)C1CC1)c1cccc(c1)F
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.115g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.442g/mol
Monoisotopic Mass:
373.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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