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478033-74-8 | 4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[(2E)-3-phenylprop-2-en-1-yl]-1,2-dihydropyridin-2-one
CAS No: 478033-74-8 Catalog No: AG00IT28 MDL No:MFCD02082510
Product Description
Catalog Number:
AG00IT28
Chemical Name:
4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[(2E)-3-phenylprop-2-en-1-yl]-1,2-dihydropyridin-2-one
CAS Number:
478033-74-8
Molecular Formula:
C24H22N2O2
Molecular Weight:
370.4437
MDL Number:
MFCD02082510
IUPAC Name:
4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(3-phenylprop-2-enyl)pyridin-2-one
InChI:
InChI=1S/C24H22N2O2/c27-23-14-16-26(15-13-19-17-25-22-12-5-4-10-20(19)22)24(28)21(23)11-6-9-18-7-2-1-3-8-18/h1-10,12,14,16-17,25,27H,11,13,15H2
InChI Key:
FBVUJAKDGZHOGU-UHFFFAOYSA-N
SMILES:
Oc1ccn(c(=O)c1C/C=C/c1ccccc1)CCc1c[nH]c2c1cccc2
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.168g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
370.452g/mol
Monoisotopic Mass:
370.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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