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Home > Imidazoles > 76995-63-6
76995-63-6 | 2-(4-benzylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one
CAS No: 76995-63-6 Catalog No: AG005787 MDL No:
Product Description
Catalog Number:
AG005787
Chemical Name:
2-(4-benzylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one
CAS Number:
76995-63-6
Molecular Formula:
C20H20N2OS
Molecular Weight:
336.4506
IUPAC Name:
2-(4-benzylphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one
InChI:
InChI=1S/C20H20N2OS/c23-19-18-8-4-5-13-21(18)20(24)22(19)17-11-9-16(10-12-17)14-15-6-2-1-3-7-15/h1-3,6-7,9-12,18H,4-5,8,13-14H2
InChI Key:
YTYPEQHAIQJMFS-UHFFFAOYSA-N
SMILES:
S=C1N2CCCCC2C(=O)N1c1ccc(cc1)Cc1ccccc1
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.13g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.453g/mol
Monoisotopic Mass:
336.13g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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