(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-4-(4-chlorophenyl)-1,5-diphenyl-4H-pyrrolo[3,4-b]pyrrole-2,6-dione

Formula:C32H21N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-4-(4-chlorophenyl)-1,5-diphenyl-4H-pyrrolo[3,4-b]pyrrole-2,6-dione is not a drug-like molecule.

MolName	(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-4-(4-chlorophenyl)-1,5-diphenyl-4H-pyrrolo[3,4-b]pyrrole-2,6-dione
MolecularFormula	C32H21N2O4Cl
Smiles	O=C(/C(/C(C(c(cc1)ccc1Cl)N1c2ccccc2)=C2C1=O)=C\c(cc1)cc3c1OCO3)N2c1ccccc1
InChI	InChI=1S/C32H21ClN2O4/c33-22-14-12-21(13-15-22)29-28-25(17-20-11-16-26-27(18-20)39-19-38-26)31(36)35(24-9-5-2-6-10-24)30(28)32(37)34(29)23-7-3-1-4-8-23/h1-18,29H,19H2/t29-/m1/s1
InChIK	VQHBEKVOIPREIN-GDLZYMKVSA-N
TotalMolweight	532.982
Molweight	532.982
MonoisotopicMass	532.118985
CLogP	6.3302
CLogS	-7.655
H Acceptors	6
TotalSurfaceArea	377.45
Relative PSA	0.14089
PolarSurfaceArea	59.08
Druglikeness	3.8645
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.35897
Fragments	1
Non HAtoms	39
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	4
Rings Closures	7
Small Rings	7
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	4
Symmetricatoms	6
Amides	2
StereoCon	racemate

Click to Load Molecule:

1 - (3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-4-(4-chlorophenyl)-1,5-diphenyl-4H-pyrrolo[3,4-b]pyrrole-2,6-dione | 2 - (3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-4-(4-chlorophenyl)-1,5-diphenyl-4H-pyrrolo[3,4-b]pyrrole-2,6-dione

Request More Details | (3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-4-(4-chlorophenyl)-1,5-diphenyl-4H-pyrrolo[3,4-b]pyrrole-2,6-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments