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

Formula:C33H21N4O4BrS Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-1-(4-bromophenyl)-5-[[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is not a drug-like molecule.

MolName	(5E)-1-(4-bromophenyl)-5-[[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C33H21N4O4BrS
Smiles	[O-][N+](c(cc1)ccc1-n1c(-c2ccccc2)c(/C=C(\C(NC(N2c(cc3)ccc3Br)=S)=O)/C2=O)cc1-c1ccccc1)=O
InChI	InChI=1S/C33H21BrN4O4S/c34-24-11-13-26(14-12-24)37-32(40)28(31(39)35-33(37)43)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(41)42/h1-20H,(H,35,39,43)
InChIK	JYYORZGKVXLWKK-UHFFFAOYSA-N
TotalMolweight	649.524
Molweight	649.524
MonoisotopicMass	648.046687
CLogP	6.0048
CLogS	-11.134
H Acceptors	8
H Donors	1
TotalSurfaceArea	444.98
Relative PSA	0.23907
PolarSurfaceArea	132.25
Druglikeness	-3.0297
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro; thio-amide/urea
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	2
Symmetricatoms	8
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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

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