Free Chemical Databases
-
[Synonyms]
NSC23470
5462-58-8
[Structure]
[ Properties Computed from Structure]
Molecular Weight 512.72228 [g/mol] Molecular Formula C28H52N2O6 XLogP 5.7 H-Bond Donor 0 H-Bond Acceptor 6 Rotatable Bond Count 23 Exact Mass 512.382537 MonoIsotopic Mass 512.382537 Topological Polar Surface Area 93.2 Heavy Atom Count 36 Formal Charge 0 Complexity 570 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 2 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: bis[1-(dibutylamino)-1-oxopropan-2-yl] hexanedioate
Canonical SMILES: CCCCN(CCCC)C(=O)C(C)OC(=O)CCCCC(=O)OC(C)C(=O)N(CCCC)CCCC
InChI: InChI=1/C28H52N2O6/c1-7-11-19-29(20-12-8-2)27(33)23(5)35-25(31)17-15-16-
18-26(32)36-24(6)28(34)30(21-13-9-3)22-14-10-4/h23-24H,7-22H2,1-6H3
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