[4-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzoate

Formula:C24H16N2O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzoate is a drug-like molecule.

MolName	[4-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzoate
MolecularFormula	C24H16N2O5S2
Smiles	[O-][N+](c(cc1)ccc1C(Oc1ccc(/C=C(/C(N2Cc3ccccc3)=O)\SC2=S)cc1)=O)=O
InChI	InChI=1S/C24H16N2O5S2/c27-22-21(33-24(32)25(22)15-17-4-2-1-3-5-17)14-16-6-12-20(13-7-16)31-23(28)18-8-10-19(11-9-18)26(29)30/h1-14H,15H2
InChIK	SBJQQKZBFUJBSR-UHFFFAOYSA-N
TotalMolweight	476.532
Molweight	476.532
MonoisotopicMass	476.050063
CLogP	3.3241
CLogS	-6.391
H Acceptors	7
TotalSurfaceArea	347.42
Relative PSA	0.33257
PolarSurfaceArea	149.82
Druglikeness	-1.1182
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.63636
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	6
Amides	1
AcidicOxygens	1
StereoCon

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