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89011-21-2 | Thiourea, [bis(phenylamino)methylene](4-methoxyphenyl)-
CAS No: 89011-21-2 Catalog No: AG0043JZ MDL No:
Product Description
Catalog Number:
AG0043JZ
Chemical Name:
Thiourea, [bis(phenylamino)methylene](4-methoxyphenyl)-
CAS Number:
89011-21-2
Molecular Formula:
C21H20N4OS
Molecular Weight:
376.4747
IUPAC Name:
1-(dianilinomethylidene)-3-(4-methoxyphenyl)thiourea
InChI:
InChI=1S/C21H20N4OS/c1-26-19-14-12-18(13-15-19)24-21(27)25-20(22-16-8-4-2-5-9-16)23-17-10-6-3-7-11-17/h2-15H,1H3,(H3,22,23,24,25,27)
InChI Key:
FEUFCDMPRZNWLD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=S)N=C(Nc1ccccc1)Nc1ccccc1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.136g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
376.478g/mol
Monoisotopic Mass:
376.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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