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113940-84-4 | Benzenamine, 4,4'-(1,3,4-thiadiazole-2,5-diyl)bis[N-ethyl-N-phenyl-
CAS No: 113940-84-4 Catalog No: AG000A4P MDL No:
Product Description
Catalog Number:
AG000A4P
Chemical Name:
Benzenamine, 4,4'-(1,3,4-thiadiazole-2,5-diyl)bis[N-ethyl-N-phenyl-
CAS Number:
113940-84-4
Molecular Formula:
C30H28N4S
Molecular Weight:
476.6351
IUPAC Name:
N-ethyl-4-[5-[4-(N-ethylanilino)phenyl]-1,3,4-thiadiazol-2-yl]-N-phenylaniline
InChI:
InChI=1S/C30H28N4S/c1-3-33(25-11-7-5-8-12-25)27-19-15-23(16-20-27)29-31-32-30(35-29)24-17-21-28(22-18-24)34(4-2)26-13-9-6-10-14-26/h5-22H,3-4H2,1-2H3
InChI Key:
CAKSQWMPMMKQMH-UHFFFAOYSA-N
SMILES:
CCN(c1ccccc1)c1ccc(cc1)c1nnc(s1)c1ccc(cc1)N(c1ccccc1)CC
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.203g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
476.642g/mol
Monoisotopic Mass:
476.203g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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