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849200-12-0 | Phenol, 3-[8-[(2,6-dimethylphenyl)amino]imidazo[1,5-a]pyrazin-5-yl]-
CAS No: 849200-12-0 Catalog No: AG004PPW MDL No:
Product Description
Catalog Number:
AG004PPW
Chemical Name:
Phenol, 3-[8-[(2,6-dimethylphenyl)amino]imidazo[1,5-a]pyrazin-5-yl]-
CAS Number:
849200-12-0
Molecular Formula:
C20H18N4O
Molecular Weight:
330.3831
IUPAC Name:
3-[8-(2,6-dimethylanilino)imidazo[1,5-a]pyrazin-5-yl]phenol
InChI:
InChI=1S/C20H18N4O/c1-13-5-3-6-14(2)19(13)23-20-18-10-21-12-24(18)17(11-22-20)15-7-4-8-16(25)9-15/h3-12,25H,1-2H3,(H,22,23)
InChI Key:
HTOWFTXIFYQJQO-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)c1cnc(c2n1cnc2)Nc1c(C)cccc1C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.148g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.391g/mol
Monoisotopic Mass:
330.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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