2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide

Formula:C19H19N4OClS Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide is a drug-like molecule.

MolName	2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
MolecularFormula	C19H19N4OClS
Smiles	Cc1cc(NC(CSc2nnc(-c(cc3)ccc3Cl)n2C)=O)c(C)cc1
InChI	InChI=1S/C19H19ClN4OS/c1-12-4-5-13(2)16(10-12)21-17(25)11-26-19-23-22-18(24(19)3)14-6-8-15(20)9-7-14/h4-10H,11H2,1-3H3,(H,21,25)
InChIK	SJARQRSETMGYMJ-UHFFFAOYSA-N
TotalMolweight	386.906
Molweight	386.906
MonoisotopicMass	386.096808
CLogP	4.1015
CLogS	-5.621
H Acceptors	5
H Donors	1
TotalSurfaceArea	292.16
Relative PSA	0.24233
PolarSurfaceArea	85.11
Druglikeness	4.0562
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

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1 - 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide | 2 - 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide

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