2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide

Formula:C17H18N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide is a drug-like molecule.

MolName	2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
MolecularFormula	C17H18N4O3S
Smiles	CCc1nnc(NC(C(C#N)=Cc(cc2)cc(OC)c2OCC)=O)s1
InChI	InChI=1S/C17H18N4O3S/c1-4-15-20-21-17(25-15)19-16(22)12(10-18)8-11-6-7-13(24-5-2)14(9-11)23-3/h6-9H,4-5H2,1-3H3,(H,19,21,22)
InChIK	RHODJWWMNPZYSK-UHFFFAOYSA-N
TotalMolweight	358.421
Molweight	358.421
MonoisotopicMass	358.109961
CLogP	2.8571
CLogS	-3.816
H Acceptors	7
H Donors	1
TotalSurfaceArea	286.41
Relative PSA	0.35041
PolarSurfaceArea	125.37
Druglikeness	-0.67722
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Amides	1
Aromatic Nitrogens	2
StereoCon

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