2,6-bis(azepan-1-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]pyrimidin-4-amine

Formula:C23H30N6Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,6-bis(azepan-1-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]pyrimidin-4-amine is not a drug-like molecule.

MolName	2,6-bis(azepan-1-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]pyrimidin-4-amine
MolecularFormula	C23H30N6Cl2
Smiles	Clc1cc(Cl)c(/C=N\Nc2nc(N3CCCCCC3)nc(N3CCCCCC3)c2)cc1
InChI	InChI=1S/C23H30Cl2N6/c24-19-10-9-18(20(25)15-19)17-26-29-21-16-22(30-11-5-1-2-6-12-30)28-23(27-21)31-13-7-3-4-8-14-31/h9-10,15-17H,1-8,11-14H2,(H,27,28,29)
InChIK	IIUUINCCYLWEOE-UHFFFAOYSA-N
TotalMolweight	461.439
Molweight	461.439
MonoisotopicMass	460.190898
CLogP	7.912
CLogS	-7.462
H Acceptors	6
H Donors	1
TotalSurfaceArea	356.32
Relative PSA	0.14596
PolarSurfaceArea	56.65
Druglikeness	0.29671
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	6
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

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