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Home > Pyridines > 1391194-45-8
1391194-45-8 | Ethanone, 2-[2-(acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-cyclopropyl-2-phenyl-
CAS No: 1391194-45-8 Catalog No: AG001ABJ MDL No:
Product Description
Catalog Number:
AG001ABJ
Chemical Name:
Ethanone, 2-[2-(acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-cyclopropyl-2-phenyl-
CAS Number:
1391194-45-8
Molecular Formula:
C20H21NO3S
Molecular Weight:
355.4506
IUPAC Name:
[5-(2-cyclopropyl-2-oxo-1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
InChI:
InChI=1S/C20H21NO3S/c1-13(22)24-18-11-16-12-21(10-9-17(16)25-18)19(20(23)15-7-8-15)14-5-3-2-4-6-14/h2-6,11,15,19H,7-10,12H2,1H3
InChI Key:
OPKDRZXNRYIANV-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1sc2c(c1)CN(CC2)C(C(=O)C1CC1)c1ccccc1
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.124g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.452g/mol
Monoisotopic Mass:
355.124g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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