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Home > Pyridines > 1024776-30-4
1024776-30-4 | (2Z)-2-[(Z)-benzoyl]-3-[4-(pyridin-2-yl)piperazin-1-yl]prop-2-enenitrile
CAS No: 1024776-30-4 Catalog No: AG00IXCM MDL No:MFCD01567488
Product Description
Catalog Number:
AG00IXCM
Chemical Name:
(2Z)-2-[(Z)-benzoyl]-3-[4-(pyridin-2-yl)piperazin-1-yl]prop-2-enenitrile
CAS Number:
1024776-30-4
Molecular Formula:
C19H18N4O
Molecular Weight:
318.3724
MDL Number:
MFCD01567488
IUPAC Name:
2-benzoyl-3-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enenitrile
InChI:
InChI=1S/C19H18N4O/c20-14-17(19(24)16-6-2-1-3-7-16)15-22-10-12-23(13-11-22)18-8-4-5-9-21-18/h1-9,15H,10-13H2
InChI Key:
ACAXYUYCQNMZSG-UHFFFAOYSA-N
SMILES:
N#C/C(=C/N1CCN(CC1)c1ccccn1)/C(=O)c1ccccc1
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.148g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.38g/mol
Monoisotopic Mass:
318.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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