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89651-72-9 | 2,7-Naphthyridine-1,3(2H,7H)-dione,2-[2-(1H-indol-3-yl)ethyl]-7-(phenylmethyl)-
CAS No: 89651-72-9 Catalog No: AG004661 MDL No:
Product Description
Catalog Number:
AG004661
Chemical Name:
2,7-Naphthyridine-1,3(2H,7H)-dione,2-[2-(1H-indol-3-yl)ethyl]-7-(phenylmethyl)-
CAS Number:
89651-72-9
Molecular Formula:
C25H21N3O2
Molecular Weight:
395.4531
IUPAC Name:
7-benzyl-2-[2-(1H-indol-3-yl)ethyl]-2,7-naphthyridine-1,3-dione
InChI:
InChI=1S/C25H21N3O2/c29-24-14-19-10-12-27(16-18-6-2-1-3-7-18)17-22(19)25(30)28(24)13-11-20-15-26-23-9-5-4-8-21(20)23/h1-10,12,14-15,17,26H,11,13,16H2
InChI Key:
OIZFODFQQRSIMD-UHFFFAOYSA-N
SMILES:
O=c1cc2ccn(cc2c(=O)n1CCc1c[nH]c2c1cccc2)Cc1ccccc1
NSC Number:
361603
Properties
Complexity:
777
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.163g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
395.462g/mol
Monoisotopic Mass:
395.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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