(Z)-N-(1,2,4-triazol-4-yl)-1-[4-[[(2S,3S)-3-[4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]-1,4-dioxan-2-yl]oxy]phenyl]methanimine

Formula:C22H20N8O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-N-(1,2,4-triazol-4-yl)-1-[4-[[(2S,3S)-3-[4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]-1,4-dioxan-2-yl]oxy]phenyl]methanimine is not a drug-like molecule.

MolName	(Z)-N-(1,2,4-triazol-4-yl)-1-[4-[[(2S,3S)-3-[4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]-1,4-dioxan-2-yl]oxy]phenyl]methanimine
MolecularFormula	C22H20N8O4
Smiles	C(CO[C@H]1Oc2ccc(/C=N\n3cnnc3)cc2)O[C@H]1Oc1ccc(/C=N\n2cnnc2)cc1
InChI	InChI=1S/C22H20N8O4/c1-5-19(6-2-17(1)11-27-29-13-23-24-14-29)33-21-22(32-10-9-31-21)34-20-7-3-18(4-8-20)12-28-30-15-25-26-16-30/h1-8,11-16,21-22H,9-10H2/t21-,22-/m0/s1
InChIK	MCXDDDJUMICPED-VXKWHMMOSA-N
TotalMolweight	460.453
Molweight	460.453
MonoisotopicMass	460.160752
CLogP	2.0512
CLogS	-8.302
H Acceptors	12
TotalSurfaceArea	354.52
Relative PSA	0.34029
PolarSurfaceArea	123.06
Druglikeness	-3.7363
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.64706
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	2
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	8
Symmetricatoms	21
Aromatic Nitrogens	6
StereoCon	this enantiomer

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1 - (Z)-N-(1,2,4-triazol-4-yl)-1-[4-[[(2S,3S)-3-[4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]-1,4-dioxan-2-yl]oxy]phenyl]methanimine | 2 - (Z)-N-(1,2,4-triazol-4-yl)-1-[4-[[(2S,3S)-3-[4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]-1,4-dioxan-2-yl]oxy]phenyl]methanimine

Request More Details | (Z)-N-(1,2,4-triazol-4-yl)-1-[4-[[(2S,3S)-3-[4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]-1,4-dioxan-2-yl]oxy]phenyl]methanimine

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