(4E)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(4-fluorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione

Formula:C25H16N4O3ClFS2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(4-fluorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione is not a drug-like molecule.

MolName	(4E)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(4-fluorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
MolecularFormula	C25H16N4O3ClFS2
Smiles	O/C(/c1ccncc1)=C(\C(c(cc1)ccc1F)N(C1=O)c2nnc(SCc(cccc3)c3Cl)s2)/C1=O
InChI	InChI=1S/C25H16ClFN4O3S2/c26-18-4-2-1-3-16(18)13-35-25-30-29-24(36-25)31-20(14-5-7-17(27)8-6-14)19(22(33)23(31)34)21(32)15-9-11-28-12-10-15/h1-12,20,32H,13H2/t20-/m1/s1
InChIK	BEAMBDWBHPBSGQ-HXUWFJFHSA-N
TotalMolweight	539.01
Molweight	539.01
MonoisotopicMass	538.033636
CLogP	4.4393
CLogS	-6.456
H Acceptors	7
H Donors	1
TotalSurfaceArea	371.85
Relative PSA	0.3052
PolarSurfaceArea	149.82
Druglikeness	-0.042458
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	3
StereoCon	racemate

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments