2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide

Formula:C22H20N4OS Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide is a drug-like molecule.

MolName	2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
MolecularFormula	C22H20N4OS
Smiles	Cc(n1Cc2ccccc2)nnc1SCC(Nc1cccc2ccccc12)=O
InChI	InChI=1S/C22H20N4OS/c1-16-24-25-22(26(16)14-17-8-3-2-4-9-17)28-15-21(27)23-20-13-7-11-18-10-5-6-12-19(18)20/h2-13H,14-15H2,1H3,(H,23,27)
InChIK	LUCRXTGIYJRWKI-UHFFFAOYSA-N
TotalMolweight	388.494
Molweight	388.494
MonoisotopicMass	388.135781
CLogP	3.95
CLogS	-4.076
H Acceptors	5
H Donors	1
TotalSurfaceArea	300.58
Relative PSA	0.23554
PolarSurfaceArea	85.11
Druglikeness	4.6029
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

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