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

Formula:C25H15N4O3BrCl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-5-(3-bromophenyl)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione is not a drug-like molecule.

MolName	(4E)-5-(3-bromophenyl)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
MolecularFormula	C25H15N4O3BrCl2S2
Smiles	O/C(/c1ccncc1)=C(\C(c1cccc(Br)c1)N(C1=O)c2nnc(SCc(ccc(Cl)c3)c3Cl)s2)/C1=O
InChI	InChI=1S/C25H15BrCl2N4O3S2/c26-16-3-1-2-14(10-16)20-19(21(33)13-6-8-29-9-7-13)22(34)23(35)32(20)24-30-31-25(37-24)36-12-15-4-5-17(27)11-18(15)28/h1-11,20,33H,12H2/t20-/m1/s1
InChIK	ZGTQHXIGUUIWRN-HXUWFJFHSA-N
TotalMolweight	634.361
Molweight	634.361
MonoisotopicMass	631.914596
CLogP	5.6697
CLogS	-7.712
H Acceptors	7
H Donors	1
TotalSurfaceArea	399.55
Relative PSA	0.28404
PolarSurfaceArea	149.82
Druglikeness	-0.49246
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.48649
Fragments	1
Non HAtoms	37
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon	racemate

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments