N-(2-fluorophenyl)-4-[[5-[[(E)-3-phenylprop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzamide

Formula:C25H19N4O2FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2-fluorophenyl)-4-[[5-[[(E)-3-phenylprop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzamide is not a drug-like molecule.

MolName	N-(2-fluorophenyl)-4-[[5-[[(E)-3-phenylprop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzamide
MolecularFormula	C25H19N4O2FS2
Smiles	O=C(/C=C/c1ccccc1)Nc1nnc(SCc(cc2)ccc2C(Nc(cccc2)c2F)=O)s1
InChI	InChI=1S/C25H19FN4O2S2/c26-20-8-4-5-9-21(20)27-23(32)19-13-10-18(11-14-19)16-33-25-30-29-24(34-25)28-22(31)15-12-17-6-2-1-3-7-17/h1-15H,16H2,(H,27,32)(H,28,29,31)
InChIK	MEYWAZHRXZNFCT-UHFFFAOYSA-N
TotalMolweight	490.582
Molweight	490.582
MonoisotopicMass	490.093344
CLogP	5.6837
CLogS	-7.532
H Acceptors	6
H Donors	2
TotalSurfaceArea	368.52
Relative PSA	0.29521
PolarSurfaceArea	137.52
Druglikeness	0.47723
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.67647
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - N-(2-fluorophenyl)-4-[[5-[[(E)-3-phenylprop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzamide | 2 - N-(2-fluorophenyl)-4-[[5-[[(E)-3-phenylprop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzamide

Request More Details | N-(2-fluorophenyl)-4-[[5-[[(E)-3-phenylprop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments