2-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

Formula:C26H19N8O3F Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.

MolName	2-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
MolecularFormula	C26H19N8O3F
Smiles	[O-][N+](c(cc1)ccc1Nc1nc(Nc2ccccc2)nc(N/N=C\c2ccc(-c(cc3)ccc3F)o2)n1)=O
InChI	InChI=1S/C26H19FN8O3/c27-18-8-6-17(7-9-18)23-15-14-22(38-23)16-28-34-26-32-24(29-19-4-2-1-3-5-19)31-25(33-26)30-20-10-12-21(13-11-20)35(36)37/h1-16H,(H3,29,30,31,32,33,34)
InChIK	RXEISWNEIFCVRR-UHFFFAOYSA-N
TotalMolweight	510.488
Molweight	510.488
MonoisotopicMass	510.156415
CLogP	6.9302
CLogS	-8.725
H Acceptors	11
H Donors	3
TotalSurfaceArea	387.43
Relative PSA	0.31833
PolarSurfaceArea	146.08
Druglikeness	-1.9681
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.55263
Fragments	1
Non HAtoms	38
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	1
Symmetricatoms	6
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine | 2 - 2-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

Request More Details | 2-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments