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827610-27-5 | 1H-Imidazol-2-amine, 4,5-dihydro-N-[4-(2-naphthalenylthio)phenyl]-
CAS No: 827610-27-5 Catalog No: AG004YSQ MDL No:
Product Description
Catalog Number:
AG004YSQ
Chemical Name:
1H-Imidazol-2-amine, 4,5-dihydro-N-[4-(2-naphthalenylthio)phenyl]-
CAS Number:
827610-27-5
Molecular Formula:
C19H17N3S
Molecular Weight:
319.4234
IUPAC Name:
N-(4-naphthalen-2-ylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine
InChI:
InChI=1S/C19H17N3S/c1-2-4-15-13-18(8-5-14(15)3-1)23-17-9-6-16(7-10-17)22-19-20-11-12-21-19/h1-10,13H,11-12H2,(H2,20,21,22)
InChI Key:
JQJZKZQWLUVXIE-UHFFFAOYSA-N
SMILES:
C1CN=C(N1)Nc1ccc(cc1)Sc1ccc2c(c1)cccc2
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.114g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.426g/mol
Monoisotopic Mass:
319.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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