Free Chemical Databases
-
[Synonyms]
NSC320592
91860-16-1
[Structure]
[ Properties Computed from Structure]
Molecular Weight 326.26404 [g/mol] Molecular Formula C16H21Cl2N3 XLogP 4.3 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 7 Tautomer Count 3 Exact Mass 325.111253 MonoIsotopic Mass 325.111253 Topological Polar Surface Area 29 Heavy Atom Count 21 Formal Charge 0 Complexity 297 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N,N-bis(2-chloroethyl)-7-methyl-2-propyl-1,8-naphthyridin-4-amine
Canonical SMILES: CCCC1=NC2=C(C=CC(=N2)C)C(=C1)N(CCCl)CCCl
InChI: InChI=1/C16H21Cl2N3/c1-3-4-13-11-15(21(9-7-17)10-8-18)14-6-5-12(2)19-16
(14)20-13/h5-6,11H,3-4,7-10H2,1-2H3
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