2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide

Formula:C19H21N5O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide
MolecularFormula	C19H21N5O2S2
Smiles	CCn1c(SCC(NN=Cc2ccc(C)s2)=O)nnc1-c(cc1)ccc1OC
InChI	InChI=1S/C19H21N5O2S2/c1-4-24-18(14-6-8-15(26-3)9-7-14)22-23-19(24)27-12-17(25)21-20-11-16-10-5-13(2)28-16/h5-11H,4,12H2,1-3H3,(H,21,25)
InChIK	POAPYLOPHFJVSE-UHFFFAOYSA-N
TotalMolweight	415.541
Molweight	415.541
MonoisotopicMass	415.113665
CLogP	3.6809
CLogS	-5.277
H Acceptors	7
H Donors	1
TotalSurfaceArea	321.2
Relative PSA	0.35078
PolarSurfaceArea	134.94
Druglikeness	7.2536
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.67857
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	7
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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1 - 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide | 2 - 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide

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