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335282-62-7 | N-(4-chlorophenyl)-4-(pyridin-2-yl)piperazine-1-carboxamide
CAS No: 335282-62-7 Catalog No: AG00ITHM MDL No:MFCD01567494
Product Description
Catalog Number:
AG00ITHM
Chemical Name:
N-(4-chlorophenyl)-4-(pyridin-2-yl)piperazine-1-carboxamide
CAS Number:
335282-62-7
Molecular Formula:
C16H17ClN4O
Molecular Weight:
316.7854
MDL Number:
MFCD01567494
IUPAC Name:
N-(4-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
InChI:
InChI=1S/C16H17ClN4O/c17-13-4-6-14(7-5-13)19-16(22)21-11-9-20(10-12-21)15-3-1-2-8-18-15/h1-8H,9-12H2,(H,19,22)
InChI Key:
MDBUNPBLRPYGFT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)NC(=O)N1CCN(CC1)c1ccccn1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.109g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.789g/mol
Monoisotopic Mass:
316.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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