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81382-55-0 | 1-Piperazinecarboxamide, N-[2-(1H-imidazol-2-ylthio)phenyl]-4-methyl-
CAS No: 81382-55-0 Catalog No: AG0052PQ MDL No:
Product Description
Catalog Number:
AG0052PQ
Chemical Name:
1-Piperazinecarboxamide, N-[2-(1H-imidazol-2-ylthio)phenyl]-4-methyl-
CAS Number:
81382-55-0
Molecular Formula:
C15H19N5OS
Molecular Weight:
317.4093
IUPAC Name:
N-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-4-methylpiperazine-1-carboxamide
InChI:
InChI=1S/C15H19N5OS/c1-19-8-10-20(11-9-19)15(21)18-12-4-2-3-5-13(12)22-14-16-6-7-17-14/h2-7H,8-11H2,1H3,(H,16,17)(H,18,21)
InChI Key:
VEBKKCDHTLODAE-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)Nc1ccccc1Sc1ncc[nH]1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.131g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.411g/mol
Monoisotopic Mass:
317.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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