(2-oxo-1,2-diphenylethyl) (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate

Formula:C32H23N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (2-oxo-1,2-diphenylethyl) (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate is not a drug-like molecule.

MolName	(2-oxo-1,2-diphenylethyl) (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
MolecularFormula	C32H23N2O3Cl
Smiles	O=C(C(c1ccccc1)OC(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl)=O)c1ccccc1
InChI	InChI=1S/C32H23ClN2O3/c33-27-19-16-23(17-20-27)30-26(22-35(34-30)28-14-8-3-9-15-28)18-21-29(36)38-32(25-12-6-2-7-13-25)31(37)24-10-4-1-5-11-24/h1-22,32H/t32-/m1/s1
InChIK	HMPUKNVQIWARRO-JGCGQSQUSA-N
TotalMolweight	518.999
Molweight	518.999
MonoisotopicMass	518.13972
CLogP	5.6852
CLogS	-7.086
H Acceptors	5
TotalSurfaceArea	400.18
Relative PSA	0.13474
PolarSurfaceArea	61.19
Druglikeness	0.87833
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.44737
Fragments	1
Non HAtoms	38
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	2
Symmetricatoms	8
Aromatic Nitrogens	2
StereoCon	racemate

Click to Load Molecule:

1 - (2-oxo-1,2-diphenylethyl) (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate | 2 - (2-oxo-1,2-diphenylethyl) (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate

Request More Details | (2-oxo-1,2-diphenylethyl) (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments