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89572-60-1 | Pyrido[2,3-d]pyrimidine-2(1H)-thione, 7-(3,4-dimethylphenyl)-5-phenyl-
CAS No: 89572-60-1 Catalog No: AG003XX4 MDL No:
Product Description
Catalog Number:
AG003XX4
Chemical Name:
Pyrido[2,3-d]pyrimidine-2(1H)-thione, 7-(3,4-dimethylphenyl)-5-phenyl-
CAS Number:
89572-60-1
Molecular Formula:
C21H17N3S
Molecular Weight:
343.4448
IUPAC Name:
7-(3,4-dimethylphenyl)-5-phenyl-1H-pyrido[2,3-d]pyrimidine-2-thione
InChI:
InChI=1S/C21H17N3S/c1-13-8-9-16(10-14(13)2)19-11-17(15-6-4-3-5-7-15)18-12-22-21(25)24-20(18)23-19/h3-12H,1-2H3,(H,22,23,24,25)
InChI Key:
XIQOHFMPTPOTFY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)c1cc(c2ccccc2)c2c(n1)[nH]c(=S)nc2
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.114g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.448g/mol
Monoisotopic Mass:
343.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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