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Home > Fluorides > 1391053-98-7
1391053-98-7 | Ethanone, 2-[2-(acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-cyclopropyl-2-(4-fluorophenyl)-, hydrochloride (1:1)
CAS No: 1391053-98-7 Catalog No: AG001AAA MDL No:
Product Description
Catalog Number:
AG001AAA
Chemical Name:
Ethanone, 2-[2-(acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-cyclopropyl-2-(4-fluorophenyl)-, hydrochloride (1:1)
CAS Number:
1391053-98-7
Molecular Formula:
C20H21ClFNO3S
Molecular Weight:
409.9020
IUPAC Name:
[5-[2-cyclopropyl-1-(4-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride
InChI:
InChI=1S/C20H20FNO3S.ClH/c1-12(23)25-18-10-15-11-22(9-8-17(15)26-18)19(20(24)14-2-3-14)13-4-6-16(21)7-5-13;/h4-7,10,14,19H,2-3,8-9,11H2,1H3;1H
InChI Key:
VORROWWIWNJHRE-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1sc2c(c1)CN(CC2)C(C(=O)C1CC1)c1ccc(cc1)F.Cl
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.091g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
409.9g/mol
Monoisotopic Mass:
409.091g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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