N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Formula:C20H21N5O3S Mutagenic:none Tumorigenic:low Reproductive Effective:none N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is a drug-like molecule.

MolName	N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
MolecularFormula	C20H21N5O3S
Smiles	Cc(cc1)ccc1-c(n1C)nnc1SCC(NN=Cc(cc1)cc(OC)c1O)=O
InChI	InChI=1S/C20H21N5O3S/c1-13-4-7-15(8-5-13)19-23-24-20(25(19)2)29-12-18(27)22-21-11-14-6-9-16(26)17(10-14)28-3/h4-11,26H,12H2,1-3H3,(H,22,27)
InChIK	GCLQDPKLULCGGJ-UHFFFAOYSA-N
TotalMolweight	411.485
Molweight	411.485
MonoisotopicMass	411.13651
CLogP	3.1304
CLogS	-4.856
H Acceptors	8
H Donors	2
TotalSurfaceArea	317.85
Relative PSA	0.33163
PolarSurfaceArea	126.93
Druglikeness	6.0281
Mutagenic	none
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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