N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

Formula:C17H17N4OBr Mutagenic:high Tumorigenic:low Reproductive Effective:none N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is a drug-like molecule.

MolName	N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
MolecularFormula	C17H17N4OBr
Smiles	O=C(c1n[nH]c2c1CCCC2)N/N=C/C(/Br)=C/c1ccccc1
InChI	InChI=1S/C17H17BrN4O/c18-13(10-12-6-2-1-3-7-12)11-19-22-17(23)16-14-8-4-5-9-15(14)20-21-16/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H,22,23)
InChIK	LQPJMDORWTWCGP-UHFFFAOYSA-N
TotalMolweight	373.253
Molweight	373.253
MonoisotopicMass	372.058572
CLogP	2.9709
CLogS	-4.559
H Acceptors	5
H Donors	2
TotalSurfaceArea	260.2
Relative PSA	0.23432
PolarSurfaceArea	70.14
Druglikeness	-4.0917
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide | 2 - N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

Request More Details | N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments