N-(4-acetylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Formula:C18H24N4O2S Mutagenic:high Tumorigenic:none Reproductive Effective:none N-(4-acetylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is a drug-like molecule.

MolName	N-(4-acetylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
MolecularFormula	C18H24N4O2S
Smiles	CCCn1c(SCC(Nc(cc2)ccc2C(C)=O)=O)nnc1C(C)C
InChI	InChI=1S/C18H24N4O2S/c1-5-10-22-17(12(2)3)20-21-18(22)25-11-16(24)19-15-8-6-14(7-9-15)13(4)23/h6-9,12H,5,10-11H2,1-4H3,(H,19,24)
InChIK	JARKUIJRAJINNF-UHFFFAOYSA-N
TotalMolweight	360.481
Molweight	360.481
MonoisotopicMass	360.161996
CLogP	2.8228
CLogS	-3.166
H Acceptors	6
H Donors	1
TotalSurfaceArea	287.01
Relative PSA	0.29212
PolarSurfaceArea	102.18
Druglikeness	4.3971
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	3
StereoCon

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