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173458-82-7 | 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5,6-diphenyl-7-(phenylmethyl)-
CAS No: 173458-82-7 Catalog No: AG001YXD MDL No:MFCD01935936
Product Description
Catalog Number:
AG001YXD
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5,6-diphenyl-7-(phenylmethyl)-
CAS Number:
173458-82-7
Molecular Formula:
C25H18ClN3
Molecular Weight:
395.8835
MDL Number:
MFCD01935936
IUPAC Name:
7-benzyl-4-chloro-5,6-diphenylpyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C25H18ClN3/c26-24-22-21(19-12-6-2-7-13-19)23(20-14-8-3-9-15-20)29(25(22)28-17-27-24)16-18-10-4-1-5-11-18/h1-15,17H,16H2
InChI Key:
CLNNUPXMPYFDLW-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1c(c1ccccc1)c(n2Cc1ccccc1)c1ccccc1
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.119g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.89g/mol
Monoisotopic Mass:
395.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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