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866138-48-9 | 3-benzyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,2-dihydropyridin-2-one
CAS No: 866138-48-9 Catalog No: AG00IZ1K MDL No:MFCD05668887
Product Description
Catalog Number:
AG00IZ1K
Chemical Name:
3-benzyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,2-dihydropyridin-2-one
CAS Number:
866138-48-9
Molecular Formula:
C23H22N2O3
Molecular Weight:
374.4324
MDL Number:
MFCD05668887
IUPAC Name:
3-benzyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridin-2-one
InChI:
InChI=1S/C23H22N2O3/c1-28-18-7-8-21-19(14-18)17(15-24-21)9-11-25-12-10-22(26)20(23(25)27)13-16-5-3-2-4-6-16/h2-8,10,12,14-15,24,26H,9,11,13H2,1H3
InChI Key:
QLTPGJLXIZLAOB-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(c[nH]2)CCn1ccc(c(c1=O)Cc1ccccc1)O
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.163g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.44g/mol
Monoisotopic Mass:
374.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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