(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide

Formula:C21H20N4O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
MolecularFormula	C21H20N4O4S2
Smiles	O=C(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)Nc1nc(-c2ccncc2)cs1
InChI	InChI=1S/C21H20N4O4S2/c26-20(24-21-23-19(15-30-21)17-7-9-22-10-8-17)6-3-16-1-4-18(5-2-16)31(27,28)25-11-13-29-14-12-25/h1-10,15H,11-14H2,(H,23,24,26)
InChIK	BIYRUQMFHQKPQJ-UHFFFAOYSA-N
TotalMolweight	456.546
Molweight	456.546
MonoisotopicMass	456.092596
CLogP	2.5537
CLogS	-3.42
H Acceptors	8
H Donors	1
TotalSurfaceArea	332.37
Relative PSA	0.32774
PolarSurfaceArea	138.11
Druglikeness	2.9067
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	7
Amides	2
Aromatic Nitrogens	2
StereoCon

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