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

Formula:C23H14N3O5ClS Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-5-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5Z)-5-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
MolecularFormula	C23H14N3O5ClS
Smiles	[O-][N+](c(cc(/C=C(/C(NC(N1c2ccccc2)=O)=O)\C1=O)cc1)c1Sc(cc1)ccc1Cl)=O
InChI	InChI=1S/C23H14ClN3O5S/c24-15-7-9-17(10-8-15)33-20-11-6-14(13-19(20)27(31)32)12-18-21(28)25-23(30)26(22(18)29)16-4-2-1-3-5-16/h1-13H,(H,25,28,30)
InChIK	CWIILFJWUYPQBP-UHFFFAOYSA-N
TotalMolweight	479.899
Molweight	479.899
MonoisotopicMass	479.034269
CLogP	3.6609
CLogS	-6.869
H Acceptors	8
H Donors	1
TotalSurfaceArea	335.58
Relative PSA	0.30407
PolarSurfaceArea	137.6
Druglikeness	0.017424
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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

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