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918147-56-5 | Oxazolo[4,5-d]pyrimidine, 2,5-diphenyl-7-(phenylthio)-
CAS No: 918147-56-5 Catalog No: AG0069DX MDL No:
Product Description
Catalog Number:
AG0069DX
Chemical Name:
Oxazolo[4,5-d]pyrimidine, 2,5-diphenyl-7-(phenylthio)-
CAS Number:
918147-56-5
Molecular Formula:
C23H15N3OS
Molecular Weight:
381.4497
IUPAC Name:
2,5-diphenyl-7-phenylsulfanyl-[1,3]oxazolo[4,5-d]pyrimidine
InChI:
InChI=1S/C23H15N3OS/c1-4-10-16(11-5-1)20-24-21-19(23(26-20)28-18-14-8-3-9-15-18)27-22(25-21)17-12-6-2-7-13-17/h1-15H
InChI Key:
QCAUWEZUBVOPCM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Sc1nc(nc2c1oc(n2)c1ccccc1)c1ccccc1
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.094g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.453g/mol
Monoisotopic Mass:
381.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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