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Home > Indoles and Oxindole > 846604-21-5
846604-21-5 | 1H-Indole, 2-(4,5-dihydro-5-phenyl-3-isoxazolyl)-7-methyl-3-phenyl-
CAS No: 846604-21-5 Catalog No: AG0050F4 MDL No:
Product Description
Catalog Number:
AG0050F4
Chemical Name:
1H-Indole, 2-(4,5-dihydro-5-phenyl-3-isoxazolyl)-7-methyl-3-phenyl-
CAS Number:
846604-21-5
Molecular Formula:
C24H20N2O
Molecular Weight:
352.4284
IUPAC Name:
3-(7-methyl-3-phenyl-1H-indol-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C24H20N2O/c1-16-9-8-14-19-22(18-12-6-3-7-13-18)24(25-23(16)19)20-15-21(27-26-20)17-10-4-2-5-11-17/h2-14,21,25H,15H2,1H3
InChI Key:
STRWLIPXJJIHMK-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1[nH]c(c2c1ccccc1)C1=NOC(C1)c1ccccc1
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.158g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.437g/mol
Monoisotopic Mass:
352.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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