N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide

Formula:C22H17N4O5ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide is a drug-like molecule.

MolName	N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
MolecularFormula	C22H17N4O5ClS
Smiles	O=C(CN(C(c1c2cccc1)=O)NC2=O)NCCN(C(/C(/S1)=C/c(cc2)ccc2Cl)=O)C1=O
InChI	InChI=1S/C22H17ClN4O5S/c23-14-7-5-13(6-8-14)11-17-21(31)26(22(32)33-17)10-9-24-18(28)12-27-20(30)16-4-2-1-3-15(16)19(29)25-27/h1-8,11H,9-10,12H2,(H,24,28)(H,25,29)
InChIK	HPNHBHDDPRHAHX-UHFFFAOYSA-N
TotalMolweight	484.919
Molweight	484.919
MonoisotopicMass	484.060818
CLogP	0.7261
CLogS	-4.625
H Acceptors	9
H Donors	2
TotalSurfaceArea	337.19
Relative PSA	0.33426
PolarSurfaceArea	141.19
Druglikeness	7.3475
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
StereoCon

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1 - N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide | 2 - N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide

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