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

Formula:C19H20N6OS Mutagenic:none Tumorigenic:none Reproductive Effective:high N-(2-ethylphenyl)-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is a drug-like molecule.

MolName	N-(2-ethylphenyl)-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
MolecularFormula	C19H20N6OS
Smiles	CCc(cccc1)c1NC(CSc1nnc(-c2nccnc2)n1CC=C)=O
InChI	InChI=1S/C19H20N6OS/c1-3-11-25-18(16-12-20-9-10-21-16)23-24-19(25)27-13-17(26)22-15-8-6-5-7-14(15)4-2/h3,5-10,12H,1,4,11,13H2,2H3,(H,22,26)
InChIK	TXVPPZKWAWKEDM-UHFFFAOYSA-N
TotalMolweight	380.475
Molweight	380.475
MonoisotopicMass	380.141929
CLogP	2.1813
CLogS	-3.016
H Acceptors	7
H Donors	1
TotalSurfaceArea	301.8
Relative PSA	0.30729
PolarSurfaceArea	110.89
Druglikeness	1.3741
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Amides	1
Aromatic Nitrogens	5
StereoCon

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