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89623-09-6 | Methanone, [4-[3-(butylamino)propoxy]phenyl](2-phenyl-3-indolizinyl)-
CAS No: 89623-09-6 Catalog No: AG003X8R MDL No:
Product Description
Catalog Number:
AG003X8R
Chemical Name:
Methanone, [4-[3-(butylamino)propoxy]phenyl](2-phenyl-3-indolizinyl)-
CAS Number:
89623-09-6
Molecular Formula:
C28H30N2O2
Molecular Weight:
426.5500
IUPAC Name:
[4-[3-(butylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone
InChI:
InChI=1S/C28H30N2O2/c1-2-3-17-29-18-9-20-32-25-15-13-23(14-16-25)28(31)27-26(22-10-5-4-6-11-22)21-24-12-7-8-19-30(24)27/h4-8,10-16,19,21,29H,2-3,9,17-18,20H2,1H3
InChI Key:
QSVLXCJNEFZXHB-UHFFFAOYSA-N
SMILES:
CCCCNCCCOc1ccc(cc1)C(=O)c1c(cc2n1cccc2)c1ccccc1
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.231g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426.56g/mol
Monoisotopic Mass:
426.231g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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