4-N-(4-fluorophenyl)-2-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

Formula:C22H21N8O4F Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-N-(4-fluorophenyl)-2-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-(4-fluorophenyl)-2-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C22H21N8O4F
Smiles	[O-][N+](c1c(/C=N\Nc2nc(Nc(cc3)ccc3F)nc(N3CCCCC3)n2)cc2OCOc2c1)=O
InChI	InChI=1S/C22H21FN8O4/c23-15-4-6-16(7-5-15)25-20-26-21(28-22(27-20)30-8-2-1-3-9-30)29-24-12-14-10-18-19(35-13-34-18)11-17(14)31(32)33/h4-7,10-12H,1-3,8-9,13H2,(H2,25,26,27,28,29)
InChIK	UVNDSWJHJUPXEY-UHFFFAOYSA-N
TotalMolweight	480.459
Molweight	480.459
MonoisotopicMass	480.16698
CLogP	5.4053
CLogS	-7.39
H Acceptors	12
H Donors	2
TotalSurfaceArea	352.62
Relative PSA	0.34402
PolarSurfaceArea	142.61
Druglikeness	-3.9324
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	9
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 4-N-(4-fluorophenyl)-2-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine | 2 - 4-N-(4-fluorophenyl)-2-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

Request More Details | 4-N-(4-fluorophenyl)-2-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments