Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 376.365101 [g/mol] Molecular Formula C14H21N2O6PS XLogP 3.7 H-Bond Donor 1 H-Bond Acceptor 7 Rotatable Bond Count 10 Tautomer Count 2 Exact Mass 376.085794 MonoIsotopic Mass 376.085794 Topological Polar Surface Area 87.6 Heavy Atom Count 24 Formal Charge 0 Complexity 455 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: [(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylideneamino]
N-methylcarbamate
Canonical SMILES: CCOP(=S)(OCC)OC1=C(C=C(C=C1)C=NOC(=O)NC)OC
InChI: InChI=1/C14H21N2O6PS/c1-5-19-23(24,
20-6-2)22-12-8-7-11(9-13(12)18-4)10-16-21-14(17)15-3/h7-10H,5-6H2,1-4H3,
(H,15,17)/f/h15H
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