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477871-31-1 | (7E)-5-benzyl-2-methyl-3-phenyl-7-(phenylmethylidene)-2H,3H,3aH,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
CAS No: 477871-31-1 Catalog No: AG00IOJ3 MDL No:MFCD02082994
Product Description
Catalog Number:
AG00IOJ3
Chemical Name:
(7E)-5-benzyl-2-methyl-3-phenyl-7-(phenylmethylidene)-2H,3H,3aH,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
CAS Number:
477871-31-1
Molecular Formula:
C27H27N3
Molecular Weight:
393.5234
MDL Number:
MFCD02082994
IUPAC Name:
(7E)-5-benzyl-7-benzylidene-2-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine
InChI:
InChI=1S/C27H27N3/c1-29-27(23-15-9-4-10-16-23)25-20-30(18-22-13-7-3-8-14-22)19-24(26(25)28-29)17-21-11-5-2-6-12-21/h2-17,25,27H,18-20H2,1H3/b24-17+
InChI Key:
SPPOYKISQNMIHA-JJIBRWJFSA-N
SMILES:
CN1N=C2C(C1c1ccccc1)CN(C/C/2=C\c1ccccc1)Cc1ccccc1
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
393.22g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.534g/mol
Monoisotopic Mass:
393.22g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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