1,3-dioxo-N,2-bis[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]isoindole-5-carboxamide

Formula:C39H26N2O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 1,3-dioxo-N,2-bis[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]isoindole-5-carboxamide is not a drug-like molecule.

MolName	1,3-dioxo-N,2-bis[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]isoindole-5-carboxamide
MolecularFormula	C39H26N2O5
Smiles	O=C(/C=C/c(cc1)ccc1NC(c(cc1)cc(C(N2c3ccc(/C=C/C(c4ccccc4)=O)cc3)=O)c1C2=O)=O)c1ccccc1
InChI	InChI=1S/C39H26N2O5/c42-35(28-7-3-1-4-8-28)23-15-26-11-18-31(19-12-26)40-37(44)30-17-22-33-34(25-30)39(46)41(38(33)45)32-20-13-27(14-21-32)16-24-36(43)29-9-5-2-6-10-29/h1-25H,(H,40,44)
InChIK	WKSYYNGATDTVPQ-UHFFFAOYSA-N
TotalMolweight	602.644
Molweight	602.644
MonoisotopicMass	602.184173
CLogP	6.9247
CLogS	-9.43
H Acceptors	7
H Donors	1
TotalSurfaceArea	462.31
Relative PSA	0.1735
PolarSurfaceArea	100.62
Druglikeness	3.1165
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63043
Fragments	1
Non HAtoms	46
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	9
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	30
Symmetricatoms	8
Amides	2
StereoCon

Click to Load Molecule:

1 - 1,3-dioxo-N,2-bis[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]isoindole-5-carboxamide | 2 - 1,3-dioxo-N,2-bis[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]isoindole-5-carboxamide

Request More Details | 1,3-dioxo-N,2-bis[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]isoindole-5-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments