N-[(Z)-3-(2,4-dinitroanilino)-1-diphenylphosphoryl-3-oxo-1-phenylprop-1-en-2-yl]benzamide

Formula:C34H25N4O7P Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-3-(2,4-dinitroanilino)-1-diphenylphosphoryl-3-oxo-1-phenylprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(Z)-3-(2,4-dinitroanilino)-1-diphenylphosphoryl-3-oxo-1-phenylprop-1-en-2-yl]benzamide
MolecularFormula	C34H25N4O7P
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1NC(/C(/NC(c1ccccc1)=O)=C(\c1ccccc1)/P(c1ccccc1)(c1ccccc1)=O)=O)=O
InChI	InChI=1S/C34H25N4O7P/c39-33(25-15-7-2-8-16-25)36-31(34(40)35-29-22-21-26(37(41)42)23-30(29)38(43)44)32(24-13-5-1-6-14-24)46(45,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-23H,(H,35,40)(H,36,39)
InChIK	WDDPHKQHLUAHDL-UHFFFAOYSA-N
TotalMolweight	632.568
Molweight	632.568
MonoisotopicMass	632.146088
CLogP	5.0877
CLogS	-7.569
H Acceptors	11
H Donors	2
TotalSurfaceArea	464.75
Relative PSA	0.27296
PolarSurfaceArea	176.72
Druglikeness	-14.519
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.32609
Fragments	1
Non HAtoms	46
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	30
Sp3Atoms	3
Symmetricatoms	12
Amides	2
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - N-[(Z)-3-(2,4-dinitroanilino)-1-diphenylphosphoryl-3-oxo-1-phenylprop-1-en-2-yl]benzamide | 2 - N-[(Z)-3-(2,4-dinitroanilino)-1-diphenylphosphoryl-3-oxo-1-phenylprop-1-en-2-yl]benzamide

Request More Details | N-[(Z)-3-(2,4-dinitroanilino)-1-diphenylphosphoryl-3-oxo-1-phenylprop-1-en-2-yl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments