N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide

Formula:C25H22N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide is a drug-like molecule.

MolName	N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
MolecularFormula	C25H22N4O4
Smiles	Cc1cc(C(N/N=C\c2cn(-c3ccccc3)nc2-c(cc2)cc3c2OCCO3)=O)c(C)o1
InChI	InChI=1S/C25H22N4O4/c1-16-12-21(17(2)33-16)25(30)27-26-14-19-15-29(20-6-4-3-5-7-20)28-24(19)18-8-9-22-23(13-18)32-11-10-31-22/h3-9,12-15H,10-11H2,1-2H3,(H,27,30)
InChIK	VPIDYYCNZWCJIT-UHFFFAOYSA-N
TotalMolweight	442.474
Molweight	442.474
MonoisotopicMass	442.164106
CLogP	4.0299
CLogS	-5.81
H Acceptors	8
H Donors	1
TotalSurfaceArea	342.7
Relative PSA	0.25667
PolarSurfaceArea	90.88
Druglikeness	-3.0683
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	6
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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1 - N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide | 2 - N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide

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