(E)-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide

Formula:C29H26N3O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
MolecularFormula	C29H26N3O3ClS
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)N(Cc(cc1)ccc1Cl)C(CC1)CS1(=O)=O
InChI	InChI=1S/C29H26ClN3O3S/c30-25-14-11-22(12-15-25)19-32(27-17-18-37(35,36)21-27)28(34)16-13-24-20-33(26-9-5-2-6-10-26)31-29(24)23-7-3-1-4-8-23/h1-16,20,27H,17-19,21H2/t27-/m0/s1
InChIK	NBODMWDZNZOYAI-MHZLTWQESA-N
TotalMolweight	532.062
Molweight	532.062
MonoisotopicMass	531.138339
CLogP	4.0009
CLogS	-5.745
H Acceptors	6
TotalSurfaceArea	393.09
Relative PSA	0.16029
PolarSurfaceArea	80.65
Druglikeness	3.2883
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45946
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	6
Symmetricatoms	7
Amides	1
Aromatic Nitrogens	2
StereoCon	racemate

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