N-[(Z)-(4-bromophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

Formula:C20H26N7Br Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-(4-bromophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	N-[(Z)-(4-bromophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
MolecularFormula	C20H26N7Br
Smiles	Brc1ccc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChI	InChI=1S/C20H26BrN7/c21-17-9-7-16(8-10-17)15-22-26-18-23-19(27-11-3-1-4-12-27)25-20(24-18)28-13-5-2-6-14-28/h7-10,15H,1-6,11-14H2,(H,23,24,25,26)
InChIK	ZEWHQJLJOBNERJ-UHFFFAOYSA-N
TotalMolweight	444.379
Molweight	444.379
MonoisotopicMass	443.143304
CLogP	6.6537
CLogS	-6.153
H Acceptors	7
H Donors	1
TotalSurfaceArea	315.35
Relative PSA	0.19971
PolarSurfaceArea	69.54
Druglikeness	1.082
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	12
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

Click to Load Molecule:

1 - N-[(Z)-(4-bromophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

Request More Details | N-[(Z)-(4-bromophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments