1-(4-morpholin-4-ylsulfonylphenyl)-3-[[(E)-2-phenylethenyl]amino]thiourea

Formula:C19H22N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 1-(4-morpholin-4-ylsulfonylphenyl)-3-[[(E)-2-phenylethenyl]amino]thiourea is a drug-like molecule.

MolName	1-(4-morpholin-4-ylsulfonylphenyl)-3-[[(E)-2-phenylethenyl]amino]thiourea
MolecularFormula	C19H22N4O3S2
Smiles	O=S(c(cc1)ccc1NC(NN/C=C/c1ccccc1)=S)(N1CCOCC1)=O
InChI	InChI=1S/C19H22N4O3S2/c24-28(25,23-12-14-26-15-13-23)18-8-6-17(7-9-18)21-19(27)22-20-11-10-16-4-2-1-3-5-16/h1-11,20H,12-15H2,(H2,21,22,27)
InChIK	NEFDXJRATGFRLS-UHFFFAOYSA-N
TotalMolweight	418.541
Molweight	418.541
MonoisotopicMass	418.113331
CLogP	1.2812
CLogS	-3.686
H Acceptors	7
H Donors	3
TotalSurfaceArea	317.03
Relative PSA	0.32965
PolarSurfaceArea	123.17
Druglikeness	2.177
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.67857
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	7
Amides	1
StereoCon

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