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260804-70-4 | 4-Imidazolidinone, 5-(1H-imidazol-5-ylmethyl)-3-phenyl-2-thioxo-, (5R)-
CAS No: 260804-70-4 Catalog No: AG01FFYG MDL No:
Product Description
Catalog Number:
AG01FFYG
Chemical Name:
4-Imidazolidinone, 5-(1H-imidazol-5-ylmethyl)-3-phenyl-2-thioxo-, (5R)-
CAS Number:
260804-70-4
Molecular Formula:
C13H12N4OS
Molecular Weight:
272.3256
IUPAC Name:
(5R)-5-(1H-imidazol-5-ylmethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C13H12N4OS/c18-12-11(6-9-7-14-8-15-9)16-13(19)17(12)10-4-2-1-3-5-10/h1-5,7-8,11H,6H2,(H,14,15)(H,16,19)/t11-/m1/s1
InChI Key:
BANMZNRKVSFJBK-LLVKDONJSA-N
SMILES:
S=C1N[C@@H](C(=O)N1c1ccccc1)Cc1cnc[nH]1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
272.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.326g/mol
Monoisotopic Mass:
272.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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