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87898-79-1 | Propanediamide, N,N,N',N'-tetrakis(phenylmethyl)-2-thioxo-
CAS No: 87898-79-1 Catalog No: AG004FWQ MDL No:
Product Description
Catalog Number:
AG004FWQ
Chemical Name:
Propanediamide, N,N,N',N'-tetrakis(phenylmethyl)-2-thioxo-
CAS Number:
87898-79-1
Molecular Formula:
C31H28N2O2S
Molecular Weight:
492.6312
IUPAC Name:
N,N,N',N'-tetrabenzyl-2-sulfanylidenepropanediamide
InChI:
InChI=1S/C31H28N2O2S/c34-30(32(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)29(36)31(35)33(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20H,21-24H2
InChI Key:
ONIIKBGZHHOAKP-UHFFFAOYSA-N
SMILES:
S=C(C(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.187g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
492.637g/mol
Monoisotopic Mass:
492.187g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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