(4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione

Formula:C25H17N5O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione is not a drug-like molecule.

MolName	(4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
MolecularFormula	C25H17N5O5S2
Smiles	[O-][N+](c1ccc(C(/C(/C(C2=O)=O)=C(/c3ccncc3)\O)N2c2nnc(SCc3ccccc3)s2)cc1)=O
InChI	InChI=1S/C25H17N5O5S2/c31-21(17-10-12-26-13-11-17)19-20(16-6-8-18(9-7-16)30(34)35)29(23(33)22(19)32)24-27-28-25(37-24)36-14-15-4-2-1-3-5-15/h1-13,20,31H,14H2/t20-/m1/s1
InChIK	SBHMGGUPKCENOW-HXUWFJFHSA-N
TotalMolweight	531.572
Molweight	531.572
MonoisotopicMass	531.06711
CLogP	2.8109
CLogS	-5.866
H Acceptors	10
H Donors	1
TotalSurfaceArea	373.75
Relative PSA	0.38504
PolarSurfaceArea	195.64
Druglikeness	-3.8012
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45946
Fragments	1
Non HAtoms	37
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	1
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	5
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon	racemate

Click to Load Molecule:

1 - (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione | 2 - (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione

Request More Details | (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments