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306936-20-9 | 1H-Pyrrole-3-carboxylic acid, 2-methyl-1-[3-(4-morpholinyl)propyl]-5-phenyl-
CAS No: 306936-20-9 Catalog No: AG0030WU MDL No:MFCD01567236
Product Description
Catalog Number:
AG0030WU
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 2-methyl-1-[3-(4-morpholinyl)propyl]-5-phenyl-
CAS Number:
306936-20-9
Molecular Formula:
C19H24N2O3
Molecular Weight:
328.4055
MDL Number:
MFCD01567236
IUPAC Name:
2-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxylic acid
InChI:
InChI=1S/C19H24N2O3/c1-15-17(19(22)23)14-18(16-6-3-2-4-7-16)21(15)9-5-8-20-10-12-24-13-11-20/h2-4,6-7,14H,5,8-13H2,1H3,(H,22,23)
InChI Key:
OZRPKALPSGYEHX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(n(c1C)CCCN1CCOCC1)c1ccccc1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.179g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.412g/mol
Monoisotopic Mass:
328.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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