(5E)-5-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C33H22N3O2ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-5-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione is not a drug-like molecule.

MolName	(5E)-5-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C33H22N3O2ClS
Smiles	O=C(/C(/C(N1c2ccccc2)=O)=C\c(cc2-c3ccccc3)c(-c3ccccc3)n2-c(cc2)ccc2Cl)NC1=S
InChI	InChI=1S/C33H22ClN3O2S/c34-25-16-18-27(19-17-25)36-29(22-10-4-1-5-11-22)21-24(30(36)23-12-6-2-7-13-23)20-28-31(38)35-33(40)37(32(28)39)26-14-8-3-9-15-26/h1-21H,(H,35,38,40)
InChIK	ANJQSTLXNMMESV-UHFFFAOYSA-N
TotalMolweight	560.076
Molweight	560.076
MonoisotopicMass	559.112124
CLogP	6.8072
CLogS	-10.576
H Acceptors	5
H Donors	1
TotalSurfaceArea	418.1
Relative PSA	0.18168
PolarSurfaceArea	86.43
Druglikeness	3.8576
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.4
Fragments	1
Non HAtoms	40
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	1
Symmetricatoms	8
Amides	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (5E)-5-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - (5E)-5-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Request More Details | (5E)-5-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments