5-benzyl-4,6-dioxo-3-phenyl-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Formula:C34H28N2O4 Mutagenic:low Tumorigenic:low Reproductive Effective:high 5-benzyl-4,6-dioxo-3-phenyl-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid is not a drug-like molecule.

MolName	5-benzyl-4,6-dioxo-3-phenyl-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C34H28N2O4
Smiles	OC(C(C(C1C(N2Cc3ccccc3)=O)C2=O)(c2ccccc2)NC1c1ccc(/C=C/c2ccccc2)cc1)=O
InChI	InChI=1S/C34H28N2O4/c37-31-28-29(32(38)36(31)22-25-12-6-2-7-13-25)34(33(39)40,27-14-8-3-9-15-27)35-30(28)26-20-18-24(19-21-26)17-16-23-10-4-1-5-11-23/h1-21,28-30,35H,22H2,(H,39,40)
InChIK	IRYXNDNVDMFJJX-UHFFFAOYSA-N
TotalMolweight	528.606
Molweight	528.606
MonoisotopicMass	528.204908
CLogP	2.5133
CLogS	-5.644
H Acceptors	6
H Donors	2
TotalSurfaceArea	395.07
Relative PSA	0.17017
PolarSurfaceArea	86.71
Druglikeness	4.1803
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.475
Fragments	1
Non HAtoms	40
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	4
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	7
Symmetricatoms	8
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon	unknown chirality

Click to Load Molecule:

1 - 5-benzyl-4,6-dioxo-3-phenyl-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid | 2 - 5-benzyl-4,6-dioxo-3-phenyl-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Request More Details | 5-benzyl-4,6-dioxo-3-phenyl-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments