N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide

Formula:C21H15N6O5FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide is not a drug-like molecule.

MolName	N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide
MolecularFormula	C21H15N6O5FS2
Smiles	[O-][N+](c(cc(cc1)C(NCCN(C(/C(/S2)=C/c(cc3)ccc3F)=O)C2=O)=O)c1Sc1ncn[nH]1)=O
InChI	InChI=1S/C21H15FN6O5S2/c22-14-4-1-12(2-5-14)9-17-19(30)27(21(31)35-17)8-7-23-18(29)13-3-6-16(15(10-13)28(32)33)34-20-24-11-25-26-20/h1-6,9-11H,7-8H2,(H,23,29)(H,24,25,26)
InChIK	AJTOPGNTZWIRDA-UHFFFAOYSA-N
TotalMolweight	514.517
Molweight	514.517
MonoisotopicMass	514.052937
CLogP	1.6884
CLogS	-5.303
H Acceptors	11
H Donors	2
TotalSurfaceArea	358.61
Relative PSA	0.43351
PolarSurfaceArea	204.47
Druglikeness	0.68182
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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1 - N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide | 2 - N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide

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