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131624-39-0 | Thiourea, N-(4-chlorophenyl)-N'-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-
CAS No: 131624-39-0 Catalog No: AG000ZIS MDL No:
Product Description
Catalog Number:
AG000ZIS
Chemical Name:
Thiourea, N-(4-chlorophenyl)-N'-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-
CAS Number:
131624-39-0
Molecular Formula:
C21H15ClN4OS
Molecular Weight:
406.8880
IUPAC Name:
1-(4-chlorophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)thiourea
InChI:
InChI=1S/C21H15ClN4OS/c22-15-10-12-16(13-11-15)23-21(28)25-26-19(14-6-2-1-3-7-14)24-18-9-5-4-8-17(18)20(26)27/h1-13H,(H2,23,25,28)
InChI Key:
LXBVXPNYDRMULD-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)NC(=S)Nn1c(nc2c(c1=O)cccc2)c1ccccc1
NSC Number:
653933
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.066g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
406.888g/mol
Monoisotopic Mass:
406.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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