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Home > Indoles and Oxindole > 403696-41-3
403696-41-3 | 2,5-Piperazinedione, 3-butyl-6-(1H-indol-3-ylmethyl)-, (3S,6S)-
CAS No: 403696-41-3 Catalog No: AG007361 MDL No:
Product Description
Catalog Number:
AG007361
Chemical Name:
2,5-Piperazinedione, 3-butyl-6-(1H-indol-3-ylmethyl)-, (3S,6S)-
CAS Number:
403696-41-3
Molecular Formula:
C17H21N3O2
Molecular Weight:
299.3675
IUPAC Name:
(3S,6S)-3-butyl-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
InChI:
InChI=1S/C17H21N3O2/c1-2-3-7-14-16(21)20-15(17(22)19-14)9-11-10-18-13-8-5-4-6-12(11)13/h4-6,8,10,14-15,18H,2-3,7,9H2,1H3,(H,19,22)(H,20,21)/t14-,15-/m0/s1
InChI Key:
RNNPUHQUEBHFTE-GJZGRUSLSA-N
SMILES:
CCCC[C@@H]1NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
299.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
299.374g/mol
Monoisotopic Mass:
299.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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