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1384265-26-2 | 9H-Purin-2-amine, 6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-9-(triphenylmethyl)-
CAS No: 1384265-26-2 Catalog No: AG00194F MDL No:
Product Description
Catalog Number:
AG00194F
Chemical Name:
9H-Purin-2-amine, 6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-9-(triphenylmethyl)-
CAS Number:
1384265-26-2
Molecular Formula:
C32H23ClF3N5
Molecular Weight:
570.0067
IUPAC Name:
6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-9-tritylpurin-2-amine
InChI:
InChI=1S/C32H23ClF3N5/c33-28-27-29(40-30(39-28)37-20-22-11-10-18-26(19-22)32(34,35)36)41(21-38-27)31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-19,21H,20H2,(H,37,39,40)
InChI Key:
GOLSSYOPSKHULL-UHFFFAOYSA-N
SMILES:
Clc1nc(NCc2cccc(c2)C(F)(F)F)nc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
781
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
569.159g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
570.016g/mol
Monoisotopic Mass:
569.159g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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