(E)-N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

Formula:C18H14N3O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
MolecularFormula	C18H14N3O2ClS
Smiles	O=C(/C=C/c1ccccc1)Nc1nnc(COc(cc2)ccc2Cl)s1
InChI	InChI=1S/C18H14ClN3O2S/c19-14-7-9-15(10-8-14)24-12-17-21-22-18(25-17)20-16(23)11-6-13-4-2-1-3-5-13/h1-11H,12H2,(H,20,22,23)
InChIK	DVYQTMZUKHWDED-UHFFFAOYSA-N
TotalMolweight	371.847
Molweight	371.847
MonoisotopicMass	371.049524
CLogP	3.9334
CLogS	-4.782
H Acceptors	5
H Donors	1
TotalSurfaceArea	281.13
Relative PSA	0.27318
PolarSurfaceArea	92.35
Druglikeness	2.3167
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - (E)-N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide | 2 - (E)-N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

Request More Details | (E)-N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments