(E)-N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

Formula:C22H20N4O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
MolecularFormula	C22H20N4O2S2
Smiles	O=C(CSc1nnc(NC(/C=C/c2ccccc2)=O)s1)N(CCC1)c2c1cccc2
InChI	InChI=1S/C22H20N4O2S2/c27-19(13-12-16-7-2-1-3-8-16)23-21-24-25-22(30-21)29-15-20(28)26-14-6-10-17-9-4-5-11-18(17)26/h1-5,7-9,11-13H,6,10,14-15H2,(H,23,24,27)
InChIK	DLQATDWNKHMWGO-UHFFFAOYSA-N
TotalMolweight	436.559
Molweight	436.559
MonoisotopicMass	436.102766
CLogP	4.5631
CLogS	-5.926
H Acceptors	6
H Donors	1
TotalSurfaceArea	329.03
Relative PSA	0.3066
PolarSurfaceArea	128.73
Druglikeness	3.2466
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
StereoCon

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1 - (E)-N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide | 2 - (E)-N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

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