3-[2-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide

Formula:C22H17N4O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[2-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.

MolName	3-[2-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
MolecularFormula	C22H17N4O2ClS
Smiles	O=C(c1cc(-c(cccc2)c2OCc(cc2)ccc2Cl)n[nH]1)N/N=C\c1cccs1
InChI	InChI=1S/C22H17ClN4O2S/c23-16-9-7-15(8-10-16)14-29-21-6-2-1-5-18(21)19-12-20(26-25-19)22(28)27-24-13-17-4-3-11-30-17/h1-13H,14H2,(H,25,26)(H,27,28)
InChIK	HRKBVIQFQAYYDR-UHFFFAOYSA-N
TotalMolweight	436.922
Molweight	436.922
MonoisotopicMass	436.076073
CLogP	4.7201
CLogS	-6.183
H Acceptors	6
H Donors	2
TotalSurfaceArea	329.96
Relative PSA	0.27679
PolarSurfaceArea	107.61
Druglikeness	6.6586
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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