Menu

3-phenyl-N-[(Z)-[3-[(Z)-[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1H-pyrazole-5-carboxamide

Formula:C28H22N8O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-phenyl-N-[(Z)-[3-[(Z)-[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1H-pyrazole-5-carboxamide is not a drug-like molecule.
MolName3-phenyl-N-[(Z)-[3-[(Z)-[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1H-pyrazole-5-carboxamide
MolecularFormulaC28H22N8O2
SmilesO=C(c1cc(-c2ccccc2)n[nH]1)N/N=C\c1cccc(/C=N\NC(c2cc(-c3ccccc3)n[nH]2)=O)c1
InChIInChI=1S/C28H22N8O2/c37-27(25-15-23(31-33-25)21-10-3-1-4-11-21)35-29-17-19-8-7-9-20(14-19)18-30-36-28(38)26-16-24(32-34-26)22-12-5-2-6-13-22/h1-18H,(H,31,33)(H,32,34)(H,35,37)(H,36,38)
InChIKFYVAULLYYYPITN-UHFFFAOYSA-N
TotalMolweight502.537
Molweight502.537
MonoisotopicMass502.186572
CLogP4.1392
CLogS-6.576
H Acceptors10
H Donors4
TotalSurfaceArea396.9
Relative PSA0.30723
PolarSurfaceArea140.28
Druglikeness5.6321
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.65789
Fragments1
Non HAtoms38
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond8
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms28
Symmetricatoms20
Aromatic Nitrogens4
StereoCon

Request More Details | 3-phenyl-N-[(Z)-[3-[(Z)-[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1H-pyrazole-5-carboxamide


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