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Home > Imidazoles > 139614-40-7
139614-40-7 | 4-Imidazolidinone, 5-(1H-indol-2-ylmethyl)-3-phenyl-2-thioxo-, (5S)-
CAS No: 139614-40-7 Catalog No: AG001BDF MDL No:
Product Description
Catalog Number:
AG001BDF
Chemical Name:
4-Imidazolidinone, 5-(1H-indol-2-ylmethyl)-3-phenyl-2-thioxo-, (5S)-
CAS Number:
139614-40-7
Molecular Formula:
C18H15N3OS
Molecular Weight:
321.3962
IUPAC Name:
5-(1H-indol-2-ylmethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C18H15N3OS/c22-17-16(11-13-10-12-6-4-5-9-15(12)19-13)20-18(23)21(17)14-7-2-1-3-8-14/h1-10,16,19H,11H2,(H,20,23)
InChI Key:
TUCGVOMODVNBOS-UHFFFAOYSA-N
SMILES:
S=C1N[C@H](C(=O)N1c1ccccc1)Cc1cc2c([nH]1)cccc2
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.094g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.398g/mol
Monoisotopic Mass:
321.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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