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

Formula:C22H13N4O5BrS Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-1-(3-bromophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is not a drug-like molecule.

MolName	(5E)-1-(3-bromophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C22H13N4O5BrS
Smiles	[O-][N+](c(cc1)cnc1Oc1ccc(/C=C(\C(NC(N2c3cccc(Br)c3)=S)=O)/C2=O)cc1)=O
InChI	InChI=1S/C22H13BrN4O5S/c23-14-2-1-3-15(11-14)26-21(29)18(20(28)25-22(26)33)10-13-4-7-17(8-5-13)32-19-9-6-16(12-24-19)27(30)31/h1-12H,(H,25,28,33)
InChIK	RNAYAIWOKPHXQW-UHFFFAOYSA-N
TotalMolweight	525.338
Molweight	525.338
MonoisotopicMass	523.979002
CLogP	3.0656
CLogS	-7.292
H Acceptors	9
H Donors	1
TotalSurfaceArea	345.02
Relative PSA	0.3492
PolarSurfaceArea	149.44
Druglikeness	-3.235
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro; thio-amide/urea
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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

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