Menu

(1E)-2-chloro-N-[[6-[[(E)-[(2-chlorophenyl)-cyanomethylidene]amino]carbamoyl]pyridine-2-carbonyl]amino]benzenecarboximidoyl cyanide

Formula:C23H13N7O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1E)-2-chloro-N-[[6-[[(E)-[(2-chlorophenyl)-cyanomethylidene]amino]carbamoyl]pyridine-2-carbonyl]amino]benzenecarboximidoyl cyanide is a drug-like molecule.
MolName(1E)-2-chloro-N-[[6-[[(E)-[(2-chlorophenyl)-cyanomethylidene]amino]carbamoyl]pyridine-2-carbonyl]amino]benzenecarboximidoyl cyanide
MolecularFormulaC23H13N7O2Cl2
SmilesN#C/C(/c(cccc1)c1Cl)=N/NC(c1cccc(C(N/N=C(\c(cccc2)c2Cl)/C#N)=O)n1)=O
InChIInChI=1S/C23H13Cl2N7O2/c24-16-8-3-1-6-14(16)20(12-26)29-31-22(33)18-10-5-11-19(28-18)23(34)32-30-21(13-27)15-7-2-4-9-17(15)25/h1-11H,(H,31,33)(H,32,34)
InChIKLMBJVTUGUTVXGY-UHFFFAOYSA-N
TotalMolweight490.309
Molweight490.309
MonoisotopicMass489.050777
CLogP3.4297
CLogS-7.567
H Acceptors9
H Donors2
TotalSurfaceArea370.16
Relative PSA0.29747
PolarSurfaceArea143.39
Druglikeness-0.89794
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.55882
Fragments1
Non HAtoms34
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Symmetricatoms16
Aromatic Nitrogens1
StereoCon

Request More Details | (1E)-2-chloro-N-[[6-[[(E)-[(2-chlorophenyl)-cyanomethylidene]amino]carbamoyl]pyridine-2-carbonyl]amino]benzenecarboximidoyl cyanide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments