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58395-09-8 | 3,5-Dibenzoyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine
CAS No: 58395-09-8 Catalog No: AG01EWJG MDL No:
Product Description
Catalog Number:
AG01EWJG
Chemical Name:
3,5-Dibenzoyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine
CAS Number:
58395-09-8
Molecular Formula:
C27H23NO2
Molecular Weight:
393.4770
IUPAC Name:
(5-benzoyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridin-3-yl)-phenylmethanone
InChI:
InChI=1S/C27H23NO2/c1-18-23(26(29)21-14-8-4-9-15-21)25(20-12-6-3-7-13-20)24(19(2)28-18)27(30)22-16-10-5-11-17-22/h3-17,25,28H,1-2H3
InChI Key:
AABPCKFWDKODQW-UHFFFAOYSA-N
SMILES:
CC1=C(C(=O)c2ccccc2)C(C(=C(N1)C)C(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
661
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.173g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.486g/mol
Monoisotopic Mass:
393.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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