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

Formula:C22H30N7Br Mutagenic:high Tumorigenic:high Reproductive Effective:high 4,6-bis(azepan-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	4,6-bis(azepan-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]-1,3,5-triazin-2-amine
MolecularFormula	C22H30N7Br
Smiles	Brc1ccc(/C=N\Nc2nc(N3CCCCCC3)nc(N3CCCCCC3)n2)cc1
InChI	InChI=1S/C22H30BrN7/c23-19-11-9-18(10-12-19)17-24-28-20-25-21(29-13-5-1-2-6-14-29)27-22(26-20)30-15-7-3-4-8-16-30/h9-12,17H,1-8,13-16H2,(H,25,26,27,28)
InChIK	HBHBMYFSBAIOLR-UHFFFAOYSA-N
TotalMolweight	472.433
Molweight	472.433
MonoisotopicMass	471.174604
CLogP	7.3377
CLogS	-6.693
H Acceptors	7
H Donors	1
TotalSurfaceArea	342.87
Relative PSA	0.18368
PolarSurfaceArea	69.54
Druglikeness	-1.4706
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	14
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments