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Home > Nitro Compounds > 338412-87-6
338412-87-6 | 3-{2-[1-(3-nitropyridin-2-yl)piperidin-4-ylidene]hydrazin-1-yl}-1,2-dihydroquinoxalin-2-one
CAS No: 338412-87-6 Catalog No: AG00IPHS MDL No:MFCD00215508
Product Description
Catalog Number:
AG00IPHS
Chemical Name:
3-{2-[1-(3-nitropyridin-2-yl)piperidin-4-ylidene]hydrazin-1-yl}-1,2-dihydroquinoxalin-2-one
CAS Number:
338412-87-6
Molecular Formula:
C18H17N7O3
Molecular Weight:
379.3727
MDL Number:
MFCD00215508
IUPAC Name:
3-[2-[1-(3-nitropyridin-2-yl)piperidin-4-ylidene]hydrazinyl]-1H-quinoxalin-2-one
InChI:
InChI=1S/C18H17N7O3/c26-18-16(20-13-4-1-2-5-14(13)21-18)23-22-12-7-10-24(11-8-12)17-15(25(27)28)6-3-9-19-17/h1-6,9H,7-8,10-11H2,(H,20,23)(H,21,26)
InChI Key:
VKGWDEFPVYIXMM-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2ccccc2nc1NN=C1CCN(CC1)c1ncccc1[N+](=O)[O-]
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.139g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
379.38g/mol
Monoisotopic Mass:
379.139g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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