2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone

Formula:C19H26N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone is a drug-like molecule.

MolName	2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone
MolecularFormula	C19H26N4O2S
Smiles	CCn1c(SCC(N2CCCCC2)=O)nnc1COc1cc(C)ccc1
InChI	InChI=1S/C19H26N4O2S/c1-3-23-17(13-25-16-9-7-8-15(2)12-16)20-21-19(23)26-14-18(24)22-10-5-4-6-11-22/h7-9,12H,3-6,10-11,13-14H2,1-2H3
InChIK	WHTWKPDUBXIPEC-UHFFFAOYSA-N
TotalMolweight	374.507
Molweight	374.507
MonoisotopicMass	374.177646
CLogP	2.693
CLogS	-2.113
H Acceptors	6
TotalSurfaceArea	296.38
Relative PSA	0.24593
PolarSurfaceArea	85.55
Druglikeness	3.2437
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	12
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

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