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128944-81-0 | 2-Imidazolidinethione, 1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]-
CAS No: 128944-81-0 Catalog No: AG000YOT MDL No:
Product Description
Catalog Number:
AG000YOT
Chemical Name:
2-Imidazolidinethione, 1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]-
CAS Number:
128944-81-0
Molecular Formula:
C32H31N5O3S
Molecular Weight:
565.6852
IUPAC Name:
1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]imidazolidine-2-thione
InChI:
InChI=1S/C32H31N5O3S/c1-35(2)24-10-12-25(13-11-24)36-30(33-22-6-16-27(38-3)17-7-22)31(34-23-8-18-28(39-4)19-9-23)37(32(36)41)26-14-20-29(40-5)21-15-26/h6-21H,1-5H3
InChI Key:
OFQDDTLVBDRDIE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N=C1N(c2ccc(cc2)N(C)C)C(=S)N(C1=Nc1ccc(cc1)OC)c1ccc(cc1)OC
NSC Number:
671394
Properties
Complexity:
912
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
565.215g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
565.692g/mol
Monoisotopic Mass:
565.215g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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