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Home > Pyridines > 685107-80-6
685107-80-6 | N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-(pyridin-2-yl)piperazine-1-carboxamide
CAS No: 685107-80-6 Catalog No: AG00IPWY MDL No:MFCD03617480
Product Description
Catalog Number:
AG00IPWY
Chemical Name:
N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-(pyridin-2-yl)piperazine-1-carboxamide
CAS Number:
685107-80-6
Molecular Formula:
C18H19N5O3
Molecular Weight:
353.3752
MDL Number:
MFCD03617480
IUPAC Name:
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
InChI:
InChI=1S/C18H19N5O3/c24-17-12-26-15-5-4-13(11-14(15)21-17)20-18(25)23-9-7-22(8-10-23)16-3-1-2-6-19-16/h1-6,11H,7-10,12H2,(H,20,25)(H,21,24)
InChI Key:
HJTVJOTZRGSQRT-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cc(cc2)NC(=O)N1CCN(CC1)c1ccccn1
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.149g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
353.382g/mol
Monoisotopic Mass:
353.149g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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