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

Formula:C20H19N7OBrF Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-N-(3-bromophenyl)-2-N-[(Z)-(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-(3-bromophenyl)-2-N-[(Z)-(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C20H19N7OBrF
Smiles	Fc1cccc(/C=N\Nc2nc(Nc3cccc(Br)c3)nc(N3CCOCC3)n2)c1
InChI	InChI=1S/C20H19BrFN7O/c21-15-4-2-6-17(12-15)24-18-25-19(27-20(26-18)29-7-9-30-10-8-29)28-23-13-14-3-1-5-16(22)11-14/h1-6,11-13H,7-10H2,(H2,24,25,26,27,28)
InChIK	BOUWIYKZTBTODA-UHFFFAOYSA-N
TotalMolweight	472.321
Molweight	472.321
MonoisotopicMass	471.081847
CLogP	6.2879
CLogS	-6.164
H Acceptors	8
H Donors	2
TotalSurfaceArea	323.56
Relative PSA	0.25
PolarSurfaceArea	87.56
Druglikeness	0.29594
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

Click to Load Molecule:

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

Request More Details | 4-N-(3-bromophenyl)-2-N-[(Z)-(3-fluorophenyl)methylideneamino]-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