Free Chemical Databases
-
[Synonyms]
NSC626744
AIDS132569
AIDS-132569
NCI60_008453
3-Methyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one
[Structure]
[ Properties Computed from Structure]
Molecular Weight 309.36236 [g/mol] Molecular Formula C18H19N3O2 XLogP 2.9 H-Bond Donor 1 H-Bond Acceptor 4 Rotatable Bond Count 2 Tautomer Count 2 Exact Mass 309.147727 MonoIsotopic Mass 309.147727 Topological Polar Surface Area 61.8 Heavy Atom Count 23 Formal Charge 0 Complexity 417 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 3 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3-methyl-1-nitroso-2,7-di(phenyl)-1,4-diazepan-5-one
Canonical SMILES: CC1C(N(C(CC(=O)N1)C2=CC=CC=C2)N=O)C3=CC=CC=C3
InChI: InChI=1/C18H19N3O2/c1-13-18(15-10-6-3-7-11-15)21(20-23)16(12-17(22)19-
13)14-8-4-2-5-9-14/h2-11,13,16,18H,12H2,1H3,(H,19,22)/f/h19H
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