1-[(Z)-benzylideneamino]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea

Formula:C19H22N4O2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(Z)-benzylideneamino]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea is a drug-like molecule.

MolName	1-[(Z)-benzylideneamino]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea
MolecularFormula	C19H22N4O2S2
Smiles	O=S(c(cc1)ccc1NC(N/N=C\c1ccccc1)=S)(N1CCCCC1)=O
InChI	InChI=1S/C19H22N4O2S2/c24-27(25,23-13-5-2-6-14-23)18-11-9-17(10-12-18)21-19(26)22-20-15-16-7-3-1-4-8-16/h1,3-4,7-12,15H,2,5-6,13-14H2,(H2,21,22,26)
InChIK	ATMXEHNXGHYDBC-UHFFFAOYSA-N
TotalMolweight	402.542
Molweight	402.542
MonoisotopicMass	402.118416
CLogP	3.799
CLogS	-4.416
H Acceptors	6
H Donors	2
TotalSurfaceArea	307.59
Relative PSA	0.30742
PolarSurfaceArea	114.27
Druglikeness	3.1058
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	7
Amides	1
StereoCon

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