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57071-02-0 | 5-[(1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)ethylidene]-1,3-diethyldihydro-2-thioxo-1H,5H-pyrimidine-4,6-dione
CAS No: 57071-02-0 Catalog No: AG00ETMH MDL No:
Product Description
Catalog Number:
AG00ETMH
Chemical Name:
5-[(1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)ethylidene]-1,3-diethyldihydro-2-thioxo-1H,5H-pyrimidine-4,6-dione
CAS Number:
57071-02-0
IUPAC Name:
5-[2-(1,3-diethylbenzimidazol-2-ylidene)ethylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
InChI:
InChI=1S/C21H26N4O2S/c1-5-22-16-11-9-10-12-17(16)23(6-2)18(22)14-13-15-19(26)24(7-3)21(28)25(8-4)20(15)27/h9-14H,5-8H2,1-4H3
InChI Key:
ZPQXPCFUSWSISP-UHFFFAOYSA-N
EC Number:
260-542-0
Properties
Complexity:
667
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.178g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.525g/mol
Monoisotopic Mass:
398.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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