N-[(Z)-1-diphenylphosphoryl-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide

Formula:C33H31N2O3P Mutagenic:none Tumorigenic:none Reproductive Effective:low N-[(Z)-1-diphenylphosphoryl-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(Z)-1-diphenylphosphoryl-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide
MolecularFormula	C33H31N2O3P
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C(\c1ccccc1)/P(c1ccccc1)(c1ccccc1)=O)N1CCCCC1
InChI	InChI=1S/C33H31N2O3P/c36-32(27-18-8-2-9-19-27)34-30(33(37)35-24-14-5-15-25-35)31(26-16-6-1-7-17-26)39(38,28-20-10-3-11-21-28)29-22-12-4-13-23-29/h1-4,6-13,16-23H,5,14-15,24-25H2,(H,34,36)
InChIK	XMWBCSCIHQKJRR-UHFFFAOYSA-N
TotalMolweight	534.594
Molweight	534.594
MonoisotopicMass	534.20723
CLogP	6.6217
CLogS	-5.736
H Acceptors	5
H Donors	1
TotalSurfaceArea	411.79
Relative PSA	0.14112
PolarSurfaceArea	76.29
Druglikeness	-8.6617
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.33333
Fragments	1
Non HAtoms	39
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	6
Symmetricatoms	14
Amides	2
StereoCon

Click to Load Molecule:

1 - N-[(Z)-1-diphenylphosphoryl-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide | 2 - N-[(Z)-1-diphenylphosphoryl-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide

Request More Details | N-[(Z)-1-diphenylphosphoryl-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments