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

Formula:C33H20N3O2BrCl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-5-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-1-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is not a drug-like molecule.

MolName	(5E)-5-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-1-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C33H20N3O2BrCl2S
Smiles	O=C(/C(/C(N1c(ccc(Cl)c2)c2Cl)=O)=C\c(cc2-c3ccccc3)c(-c3ccccc3)n2-c(cc2)ccc2Br)NC1=S
InChI	InChI=1S/C33H20BrCl2N3O2S/c34-23-11-14-25(15-12-23)38-29(20-7-3-1-4-8-20)18-22(30(38)21-9-5-2-6-10-21)17-26-31(40)37-33(42)39(32(26)41)28-16-13-24(35)19-27(28)36/h1-19H,(H,37,40,42)
InChIK	TUOYNMMXKZQNJF-UHFFFAOYSA-N
TotalMolweight	673.417
Molweight	673.417
MonoisotopicMass	670.983662
CLogP	8.1384
CLogS	-12.146
H Acceptors	5
H Donors	1
TotalSurfaceArea	452.15
Relative PSA	0.168
PolarSurfaceArea	86.43
Druglikeness	2.0676
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.40476
Fragments	1
Non HAtoms	42
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	1
Symmetricatoms	6
Amides	2
Aromatic Nitrogens	1
StereoCon

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

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