6-morpholin-4-yl-4-N-phenyl-2-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine

Formula:C21H20N7OF3 Mutagenic:high Tumorigenic:none Reproductive Effective:none 6-morpholin-4-yl-4-N-phenyl-2-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	6-morpholin-4-yl-4-N-phenyl-2-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine
MolecularFormula	C21H20N7OF3
Smiles	FC(c1cc(/C=N\Nc2nc(N3CCOCC3)nc(Nc3ccccc3)n2)ccc1)(F)F
InChI	InChI=1S/C21H20F3N7O/c22-21(23,24)16-6-4-5-15(13-16)14-25-30-19-27-18(26-17-7-2-1-3-8-17)28-20(29-19)31-9-11-32-12-10-31/h1-8,13-14H,9-12H2,(H2,26,27,28,29,30)
InChIK	XQTCSIVPAAYXDN-UHFFFAOYSA-N
TotalMolweight	443.432
Molweight	443.432
MonoisotopicMass	443.168142
CLogP	6.3102
CLogS	-5.794
H Acceptors	8
H Donors	2
TotalSurfaceArea	328.04
Relative PSA	0.24659
PolarSurfaceArea	87.56
Druglikeness	-3.7641
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	6
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments