2-(2-phenoxyethoxy)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide

Formula:C29H24N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2-phenoxyethoxy)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide is not a drug-like molecule.

MolName	2-(2-phenoxyethoxy)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
MolecularFormula	C29H24N4O3S
Smiles	O=C(c(cccc1)c1OCCOc1ccccc1)N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1
InChI	InChI=1S/C29H24N4O3S/c34-29(25-14-7-8-15-26(25)36-18-17-35-24-12-5-2-6-13-24)31-30-20-22-21-33(23-10-3-1-4-11-23)32-28(22)27-16-9-19-37-27/h1-16,19-21H,17-18H2,(H,31,34)
InChIK	MZUJIAANNWPOKZ-UHFFFAOYSA-N
TotalMolweight	508.601
Molweight	508.601
MonoisotopicMass	508.156911
CLogP	5.4991
CLogS	-6.423
H Acceptors	7
H Donors	1
TotalSurfaceArea	397.69
Relative PSA	0.23689
PolarSurfaceArea	105.98
Druglikeness	0.073862
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.56757
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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