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Home > Indoles and Oxindole > 1797376-58-9
1797376-58-9 | 3-benzyl-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-1,2-dihydropyridin-2-one
CAS No: 1797376-58-9 Catalog No: AG00INTN MDL No:MFCD03848707
Product Description
Catalog Number:
AG00INTN
Chemical Name:
3-benzyl-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-1,2-dihydropyridin-2-one
CAS Number:
1797376-58-9
Molecular Formula:
C22H20N2O2
Molecular Weight:
344.4064
MDL Number:
MFCD03848707
IUPAC Name:
3-benzyl-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]pyridin-2-one
InChI:
InChI=1S/C22H20N2O2/c25-21-11-13-24(22(26)19(21)14-16-6-2-1-3-7-16)12-10-17-15-23-20-9-5-4-8-18(17)20/h1-9,11,13,15,23,25H,10,12,14H2
InChI Key:
CMIKTLHJVMINDS-UHFFFAOYSA-N
SMILES:
Oc1ccn(c(=O)c1Cc1ccccc1)CCc1c[nH]c2c1cccc2
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.152g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.414g/mol
Monoisotopic Mass:
344.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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