3-(phenoxymethyl)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione

Formula:C18H16N4OS Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(phenoxymethyl)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(phenoxymethyl)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C18H16N4OS
Smiles	S=C(NN=C1COc2ccccc2)N1/N=C\C=C\c1ccccc1
InChI	InChI=1S/C18H16N4OS/c24-18-21-20-17(14-23-16-11-5-2-6-12-16)22(18)19-13-7-10-15-8-3-1-4-9-15/h1-13H,14H2,(H,21,24)
InChIK	JFUYITAUOUIGLI-UHFFFAOYSA-N
TotalMolweight	336.418
Molweight	336.418
MonoisotopicMass	336.104481
CLogP	2.9135
CLogS	-4.523
H Acceptors	5
H Donors	1
TotalSurfaceArea	271.98
Relative PSA	0.27954
PolarSurfaceArea	81.31
Druglikeness	3.2938
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
StereoCon

Click to Load Molecule:

1 - 3-(phenoxymethyl)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione | 2 - 3-(phenoxymethyl)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione

Request More Details | 3-(phenoxymethyl)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments