(5Z)-5-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C25H21N3O5S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5Z)-5-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C25H21N3O5S3
Smiles	O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)cc3c2OCCO3)N(C(CC2)CS2(=O)=O)C1=S
InChI	InChI=1S/C25H21N3O5S3/c29-24-22(35-25(34)28(24)19-8-11-36(30,31)15-19)13-17-14-27(18-4-2-1-3-5-18)26-23(17)16-6-7-20-21(12-16)33-10-9-32-20/h1-7,12-14,19H,8-11,15H2/t19-/m1/s1
InChIK	YKQHFYJQDCCGFI-LJQANCHMSA-N
TotalMolweight	539.656
Molweight	539.656
MonoisotopicMass	539.064332
CLogP	1.6586
CLogS	-5.377
H Acceptors	8
TotalSurfaceArea	373.08
Relative PSA	0.34443
PolarSurfaceArea	156.5
Druglikeness	-4.2045
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	11
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	2
StereoCon	racemate

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1 - (5Z)-5-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

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