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77918-00-4 | 2,3-Piperazinedione,1-[[2-chloro-4-(diethylamino)phenyl]methyl]-4-hexyl-
CAS No: 77918-00-4 Catalog No: AG005EHS MDL No:
Product Description
Catalog Number:
AG005EHS
Chemical Name:
2,3-Piperazinedione,1-[[2-chloro-4-(diethylamino)phenyl]methyl]-4-hexyl-
CAS Number:
77918-00-4
Molecular Formula:
C21H32ClN3O2
Molecular Weight:
393.9507
IUPAC Name:
1-[[2-chloro-4-(diethylamino)phenyl]methyl]-4-hexylpiperazine-2,3-dione
InChI:
InChI=1S/C21H32ClN3O2/c1-4-7-8-9-12-24-13-14-25(21(27)20(24)26)16-17-10-11-18(15-19(17)22)23(5-2)6-3/h10-11,15H,4-9,12-14,16H2,1-3H3
InChI Key:
AOWYAKVJYRZWKE-UHFFFAOYSA-N
SMILES:
CCCCCCN1CCN(C(=O)C1=O)Cc1ccc(cc1Cl)N(CC)CC
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.218g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.956g/mol
Monoisotopic Mass:
393.218g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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