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173458-67-8 | 7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-(3-chlorophenyl)-5,6-diphenyl-
CAS No: 173458-67-8 Catalog No: AG001YXE MDL No:
Product Description
Catalog Number:
AG001YXE
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-(3-chlorophenyl)-5,6-diphenyl-
CAS Number:
173458-67-8
Molecular Formula:
C24H17ClN4
Molecular Weight:
396.8716
IUPAC Name:
N-(3-chlorophenyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
InChI:
InChI=1S/C24H17ClN4/c25-18-12-7-13-19(14-18)28-23-21-20(16-8-3-1-4-9-16)22(17-10-5-2-6-11-17)29-24(21)27-15-26-23/h1-15H,(H2,26,27,28,29)
InChI Key:
UYXXIXVMSUKWBN-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)Nc1ncnc2c1c(c1ccccc1)c([nH]2)c1ccccc1
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.114g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
396.878g/mol
Monoisotopic Mass:
396.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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