N-(4-ethoxyphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Formula:C19H20N4O2S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-(4-ethoxyphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is a drug-like molecule.

MolName	N-(4-ethoxyphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
MolecularFormula	C19H20N4O2S2
Smiles	CCOc(cc1)ccc1NC(CSc1nnc(-c2cccs2)n1CC=C)=O
InChI	InChI=1S/C19H20N4O2S2/c1-3-11-23-18(16-6-5-12-26-16)21-22-19(23)27-13-17(24)20-14-7-9-15(10-8-14)25-4-2/h3,5-10,12H,1,4,11,13H2,2H3,(H,20,24)
InChIK	CKDCVOSALLTSDO-UHFFFAOYSA-N
TotalMolweight	400.526
Molweight	400.526
MonoisotopicMass	400.102766
CLogP	3.6924
CLogS	-4.65
H Acceptors	6
H Donors	1
TotalSurfaceArea	310.22
Relative PSA	0.32609
PolarSurfaceArea	122.58
Druglikeness	1.5948
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

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