N-[(E)-3-(benzylamino)-1-(1,3-diphenylpyrazol-4-yl)-3-oxoprop-1-en-2-yl]-2,4-dichlorobenzamide

Formula:C32H24N4O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(benzylamino)-1-(1,3-diphenylpyrazol-4-yl)-3-oxoprop-1-en-2-yl]-2,4-dichlorobenzamide is not a drug-like molecule.

MolName	N-[(E)-3-(benzylamino)-1-(1,3-diphenylpyrazol-4-yl)-3-oxoprop-1-en-2-yl]-2,4-dichlorobenzamide
MolecularFormula	C32H24N4O2Cl2
Smiles	O=C(/C(/NC(c(ccc(Cl)c1)c1Cl)=O)=C\c1cn(-c2ccccc2)nc1-c1ccccc1)NCc1ccccc1
InChI	InChI=1S/C32H24Cl2N4O2/c33-25-16-17-27(28(34)19-25)31(39)36-29(32(40)35-20-22-10-4-1-5-11-22)18-24-21-38(26-14-8-3-9-15-26)37-30(24)23-12-6-2-7-13-23/h1-19,21H,20H2,(H,35,40)(H,36,39)
InChIK	QLTSODUMKDPZTG-UHFFFAOYSA-N
TotalMolweight	567.475
Molweight	567.475
MonoisotopicMass	566.12763
CLogP	6.2642
CLogS	-7.674
H Acceptors	6
H Donors	2
TotalSurfaceArea	427.99
Relative PSA	0.15617
PolarSurfaceArea	76.02
Druglikeness	5.6963
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.4
Fragments	1
Non HAtoms	40
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	1
Symmetricatoms	6
Amides	2
Aromatic Nitrogens	2
StereoCon

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