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802919-16-0 | Pyrazolo[1,5-a]pyrimidin-6-ol, 1,3a-dihydro-2,3-bis(4-methoxyphenyl)-
CAS No: 802919-16-0 Catalog No: AG0053PA MDL No:
Product Description
Catalog Number:
AG0053PA
Chemical Name:
Pyrazolo[1,5-a]pyrimidin-6-ol, 1,3a-dihydro-2,3-bis(4-methoxyphenyl)-
CAS Number:
802919-16-0
Molecular Formula:
C20H19N3O3
Molecular Weight:
349.3832
IUPAC Name:
2,3-bis(4-methoxyphenyl)-1,3a-dihydropyrazolo[1,5-a]pyrimidin-6-ol
InChI:
InChI=1S/C20H19N3O3/c1-25-16-7-3-13(4-8-16)18-19(14-5-9-17(26-2)10-6-14)22-23-12-15(24)11-21-20(18)23/h3-12,20,22,24H,1-2H3
InChI Key:
BYCHPPJCPDHIJR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=C(NN2C1N=CC(=C2)O)c1ccc(cc1)OC
Properties
Complexity:
599
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.143g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.39g/mol
Monoisotopic Mass:
349.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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