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Home > Nitro Compounds > 886462-74-4
886462-74-4 | 4-Piperidinone, 1-[5-(4-nitrobenzoyl)-3-(4-pyridinyl)-2-thienyl]-
CAS No: 886462-74-4 Catalog No: AG00491Z MDL No:
Product Description
Catalog Number:
AG00491Z
Chemical Name:
4-Piperidinone, 1-[5-(4-nitrobenzoyl)-3-(4-pyridinyl)-2-thienyl]-
CAS Number:
886462-74-4
Molecular Formula:
C21H17N3O4S
Molecular Weight:
407.4424
IUPAC Name:
1-[5-(4-nitrobenzoyl)-3-pyridin-4-ylthiophen-2-yl]piperidin-4-one
InChI:
InChI=1S/C21H17N3O4S/c25-17-7-11-23(12-8-17)21-18(14-5-9-22-10-6-14)13-19(29-21)20(26)15-1-3-16(4-2-15)24(27)28/h1-6,9-10,13H,7-8,11-12H2
InChI Key:
CAFOTWPLGCLVFZ-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)c1sc(cc1c1ccncc1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.094g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
407.444g/mol
Monoisotopic Mass:
407.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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