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Home > Pyridines > 692732-87-9
692732-87-9 | N-(2H-1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)piperazine-1-carboxamide
CAS No: 692732-87-9 Catalog No: AG00IRZK MDL No:MFCD03102643
Product Description
Catalog Number:
AG00IRZK
Chemical Name:
N-(2H-1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)piperazine-1-carboxamide
CAS Number:
692732-87-9
Molecular Formula:
C17H18N4O3
Molecular Weight:
326.3498
MDL Number:
MFCD03102643
IUPAC Name:
N-(1,3-benzodioxol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
InChI:
InChI=1S/C17H18N4O3/c22-17(19-13-4-5-14-15(11-13)24-12-23-14)21-9-7-20(8-10-21)16-3-1-2-6-18-16/h1-6,11H,7-10,12H2,(H,19,22)
InChI Key:
JVNAOYYWIAAYER-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccccn1)Nc1ccc2c(c1)OCO2
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.138g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.356g/mol
Monoisotopic Mass:
326.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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