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Home > Indoles and Oxindole > 1025311-80-1
1025311-80-1 | 1-(1H-indol-3-yl)-2-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethane-1,2-dione
CAS No: 1025311-80-1 Catalog No: AG00IXE0 MDL No:MFCD02662149
Product Description
Catalog Number:
AG00IXE0
Chemical Name:
1-(1H-indol-3-yl)-2-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethane-1,2-dione
CAS Number:
1025311-80-1
Molecular Formula:
C23H23N3O2
Molecular Weight:
373.4476
MDL Number:
MFCD02662149
IUPAC Name:
1-(1H-indol-3-yl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethane-1,2-dione
InChI:
InChI=1S/C23H23N3O2/c27-22(20-17-24-21-11-5-4-10-19(20)21)23(28)26-15-13-25(14-16-26)12-6-9-18-7-2-1-3-8-18/h1-11,17,24H,12-16H2
InChI Key:
WGASBBNMJQHFRA-UHFFFAOYSA-N
SMILES:
O=C(C(=O)c1c[nH]c2c1cccc2)N1CCN(CC1)C/C=C/c1ccccc1
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.179g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.456g/mol
Monoisotopic Mass:
373.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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