(5Z)-1-(4-chlorophenyl)-5-[[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

Formula:C33H21N4O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-1-(4-chlorophenyl)-5-[[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5Z)-1-(4-chlorophenyl)-5-[[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C33H21N4O5Cl
Smiles	[O-][N+](c(cc1)ccc1-n1c(-c2ccccc2)c(/C=C(/C(NC(N2c(cc3)ccc3Cl)=O)=O)\C2=O)cc1-c1ccccc1)=O
InChI	InChI=1S/C33H21ClN4O5/c34-24-11-13-26(14-12-24)37-32(40)28(31(39)35-33(37)41)19-23-20-29(21-7-3-1-4-8-21)36(30(23)22-9-5-2-6-10-22)25-15-17-27(18-16-25)38(42)43/h1-20H,(H,35,39,41)
InChIK	XKLKEMUORVQLJW-UHFFFAOYSA-N
TotalMolweight	589.006
Molweight	589.006
MonoisotopicMass	588.120048
CLogP	5.5251
CLogS	-10.952
H Acceptors	9
H Donors	1
TotalSurfaceArea	426.81
Relative PSA	0.21419
PolarSurfaceArea	117.23
Druglikeness	-0.095557
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.4186
Fragments	1
Non HAtoms	43
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	1
Symmetricatoms	8
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (5Z)-1-(4-chlorophenyl)-5-[[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5Z)-1-(4-chlorophenyl)-5-[[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

Request More Details | (5Z)-1-(4-chlorophenyl)-5-[[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments