2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

Formula:C25H21N5OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName	2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
MolecularFormula	C25H21N5OS
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\C=C\c1ccccc1
InChI	InChI=1S/C25H21N5OS/c31-23(27-26-18-10-13-20-11-4-1-5-12-20)19-32-25-29-28-24(21-14-6-2-7-15-21)30(25)22-16-8-3-9-17-22/h1-18H,19H2,(H,27,31)
InChIK	LCZAOQXPIKJIQX-UHFFFAOYSA-N
TotalMolweight	439.542
Molweight	439.542
MonoisotopicMass	439.14668
CLogP	4.5501
CLogS	-8.708
H Acceptors	6
H Donors	1
TotalSurfaceArea	350.98
Relative PSA	0.23451
PolarSurfaceArea	97.47
Druglikeness	5.4655
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

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1 - 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

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