5-nitro-N-[2-[(5Z)-5-[(4-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-pyrrolidin-1-ylbenzamide

Formula:C23H21N5O7S Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-nitro-N-[2-[(5Z)-5-[(4-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-pyrrolidin-1-ylbenzamide is not a drug-like molecule.

MolName	5-nitro-N-[2-[(5Z)-5-[(4-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-pyrrolidin-1-ylbenzamide
MolecularFormula	C23H21N5O7S
Smiles	[O-][N+](c1ccc(/C=C(/C(N2CCNC(c(cc(cc3)[N+]([O-])=O)c3N3CCCC3)=O)=O)\SC2=O)cc1)=O
InChI	InChI=1S/C23H21N5O7S/c29-21(18-14-17(28(34)35)7-8-19(18)25-10-1-2-11-25)24-9-12-26-22(30)20(36-23(26)31)13-15-3-5-16(6-4-15)27(32)33/h3-8,13-14H,1-2,9-12H2,(H,24,29)
InChIK	OLGOXZYBHURASX-UHFFFAOYSA-N
TotalMolweight	511.514
Molweight	511.514
MonoisotopicMass	511.11617
CLogP	1.3239
CLogS	-5.666
H Acceptors	12
H Donors	1
TotalSurfaceArea	363.43
Relative PSA	0.37424
PolarSurfaceArea	186.66
Druglikeness	0.69007
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	4
Amides	2
Amines	1
Aromatic Amines	1
AcidicOxygens	2
StereoCon

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1 - 5-nitro-N-[2-[(5Z)-5-[(4-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-pyrrolidin-1-ylbenzamide | 2 - 5-nitro-N-[2-[(5Z)-5-[(4-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-pyrrolidin-1-ylbenzamide

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