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646030-85-5 | 2-Imidazolidinone, 4-(mercaptomethyl)-1,3-bis(phenylmethyl)-, (4R)-
CAS No: 646030-85-5 Catalog No: AG006TCY MDL No:
Product Description
Catalog Number:
AG006TCY
Chemical Name:
2-Imidazolidinone, 4-(mercaptomethyl)-1,3-bis(phenylmethyl)-, (4R)-
CAS Number:
646030-85-5
Molecular Formula:
C18H20N2OS
Molecular Weight:
312.4292
IUPAC Name:
(4R)-1,3-dibenzyl-4-(sulfanylmethyl)imidazolidin-2-one
InChI:
InChI=1S/C18H20N2OS/c21-18-19(11-15-7-3-1-4-8-15)13-17(14-22)20(18)12-16-9-5-2-6-10-16/h1-10,17,22H,11-14H2/t17-/m1/s1
InChI Key:
JTKVQYFQTBVXHR-QGZVFWFLSA-N
SMILES:
SC[C@H]1CN(C(=O)N1Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
312.13g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.431g/mol
Monoisotopic Mass:
312.13g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
24.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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