(E)-N-benzyl-3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enamide

Formula:C33H25N4O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-benzyl-3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-benzyl-3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enamide
MolecularFormula	C33H25N4O2Cl
Smiles	N#C/C(/C(NCc1ccccc1)=O)=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc(cc1)ccc1Cl
InChI	InChI=1S/C33H25ClN4O2/c34-29-15-11-25(12-16-29)23-40-31-17-13-26(14-18-31)32-28(22-38(37-32)30-9-5-2-6-10-30)19-27(20-35)33(39)36-21-24-7-3-1-4-8-24/h1-19,22H,21,23H2,(H,36,39)
InChIK	IBTKZQMUGRFDPC-UHFFFAOYSA-N
TotalMolweight	545.041
Molweight	545.041
MonoisotopicMass	544.166603
CLogP	5.5708
CLogS	-7.176
H Acceptors	6
H Donors	1
TotalSurfaceArea	428.83
Relative PSA	0.15367
PolarSurfaceArea	79.94
Druglikeness	0.67055
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55
Fragments	1
Non HAtoms	40
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	3
Symmetricatoms	8
Amides	1
Aromatic Nitrogens	2
StereoCon

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