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

Formula:C17H12N4Cl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(2,4-dichlorophenyl)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(2,4-dichlorophenyl)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C17H12N4Cl2S
Smiles	S=C(NN=C1c(ccc(Cl)c2)c2Cl)N1/N=C\C=C\c1ccccc1
InChI	InChI=1S/C17H12Cl2N4S/c18-13-8-9-14(15(19)11-13)16-21-22-17(24)23(16)20-10-4-7-12-5-2-1-3-6-12/h1-11H,(H,22,24)
InChIK	CMPZRKCMQAFYNY-UHFFFAOYSA-N
TotalMolweight	375.282
Molweight	375.282
MonoisotopicMass	374.01597
CLogP	4.5253
CLogS	-6.215
H Acceptors	4
H Donors	1
TotalSurfaceArea	279.06
Relative PSA	0.23662
PolarSurfaceArea	72.08
Druglikeness	3.6625
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

Click to Load Molecule:

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

Request More Details | 3-(2,4-dichlorophenyl)-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