4-bromo-1-[(4-bromophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide

Formula:C18H14N4O2Br2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-bromo-1-[(4-bromophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide is a drug-like molecule.

MolName	4-bromo-1-[(4-bromophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide
MolecularFormula	C18H14N4O2Br2
Smiles	Oc1cccc(/C=N\NC(c2nn(Cc(cc3)ccc3Br)cc2Br)=O)c1
InChI	InChI=1S/C18H14Br2N4O2/c19-14-6-4-12(5-7-14)10-24-11-16(20)17(23-24)18(26)22-21-9-13-2-1-3-15(25)8-13/h1-9,11,25H,10H2,(H,22,26)
InChIK	KDYKZNYRKSVWHR-UHFFFAOYSA-N
TotalMolweight	478.143
Molweight	478.143
MonoisotopicMass	475.948348
CLogP	3.7801
CLogS	-4.674
H Acceptors	6
H Donors	2
TotalSurfaceArea	292.08
Relative PSA	0.22922
PolarSurfaceArea	79.51
Druglikeness	1.8698
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - 4-bromo-1-[(4-bromophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide | 2 - 4-bromo-1-[(4-bromophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide

Request More Details | 4-bromo-1-[(4-bromophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments