2-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

Formula:C20H17N8O3Cl2F Mutagenic:high Tumorigenic:none Reproductive Effective:low 2-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C20H17N8O3Cl2F
Smiles	[O-][N+](c(cc(/C=N\Nc1nc(N2CCOCC2)nc(Nc(cc2)ccc2F)n1)c(Cl)c1)c1Cl)=O
InChI	InChI=1S/C20H17Cl2FN8O3/c21-15-10-16(22)17(31(32)33)9-12(15)11-24-29-19-26-18(25-14-3-1-13(23)2-4-14)27-20(28-19)30-5-7-34-8-6-30/h1-4,9-11H,5-8H2,(H2,25,26,27,28,29)
InChIK	LBKBKIYJPDOGPJ-UHFFFAOYSA-N
TotalMolweight	507.312
Molweight	507.312
MonoisotopicMass	506.078469
CLogP	5.3419
CLogS	-7.262
H Acceptors	11
H Donors	2
TotalSurfaceArea	359.44
Relative PSA	0.30968
PolarSurfaceArea	133.38
Druglikeness	-3.0445
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine | 2 - 2-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

Request More Details | 2-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments