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306936-22-1 | 1H-Pyrrole-3-carboxylic acid, 2-methyl-1-[4-(4-morpholinyl)phenyl]-5-phenyl-
CAS No: 306936-22-1 Catalog No: AG0030WS MDL No:
Product Description
Catalog Number:
AG0030WS
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 2-methyl-1-[4-(4-morpholinyl)phenyl]-5-phenyl-
CAS Number:
306936-22-1
Molecular Formula:
C22H22N2O3
Molecular Weight:
362.4217
IUPAC Name:
2-methyl-1-(4-morpholin-4-ylphenyl)-5-phenylpyrrole-3-carboxylic acid
InChI:
InChI=1S/C22H22N2O3/c1-16-20(22(25)26)15-21(17-5-3-2-4-6-17)24(16)19-9-7-18(8-10-19)23-11-13-27-14-12-23/h2-10,15H,11-14H2,1H3,(H,25,26)
InChI Key:
JLTNBHOVGYOYCU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(n(c1C)c1ccc(cc1)N1CCOCC1)c1ccccc1
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.163g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.429g/mol
Monoisotopic Mass:
362.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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