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79441-06-8 | Pyrazolo[1,5-c]pyrimidine-7(3H)-thione, 3a,6-dihydro-2,3a,5-triphenyl-
CAS No: 79441-06-8 Catalog No: AG005K3E MDL No:
Product Description
Catalog Number:
AG005K3E
Chemical Name:
Pyrazolo[1,5-c]pyrimidine-7(3H)-thione, 3a,6-dihydro-2,3a,5-triphenyl-
CAS Number:
79441-06-8
Molecular Formula:
C24H19N3S
Molecular Weight:
381.4928
IUPAC Name:
2,3a,5-triphenyl-3,6-dihydropyrazolo[1,5-c]pyrimidine-7-thione
InChI:
InChI=1S/C24H19N3S/c28-23-25-21(18-10-4-1-5-11-18)16-24(20-14-8-3-9-15-20)17-22(26-27(23)24)19-12-6-2-7-13-19/h1-16H,17H2,(H,25,28)
InChI Key:
QUBNFALGLHXTTA-UHFFFAOYSA-N
SMILES:
S=C1NC(=CC2(N1N=C(C2)c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
651
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.13g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
381.497g/mol
Monoisotopic Mass:
381.13g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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