1-[[(2E)-2-benzylidene-4-hydroxybutanoyl]amino]-3-phenylthiourea

Formula:C18H19N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:high 1-[[(2E)-2-benzylidene-4-hydroxybutanoyl]amino]-3-phenylthiourea is a drug-like molecule.

MolName	1-[[(2E)-2-benzylidene-4-hydroxybutanoyl]amino]-3-phenylthiourea
MolecularFormula	C18H19N3O2S
Smiles	OCC/C(/C(NNC(Nc1ccccc1)=S)=O)=C\c1ccccc1
InChI	InChI=1S/C18H19N3O2S/c22-12-11-15(13-14-7-3-1-4-8-14)17(23)20-21-18(24)19-16-9-5-2-6-10-16/h1-10,13,22H,11-12H2,(H,20,23)(H2,19,21,24)
InChIK	RZZGDDNALVAARF-UHFFFAOYSA-N
TotalMolweight	341.434
Molweight	341.434
MonoisotopicMass	341.119797
CLogP	2.4715
CLogS	-4.167
H Acceptors	5
H Donors	4
TotalSurfaceArea	276.44
Relative PSA	0.32021
PolarSurfaceArea	105.48
Druglikeness	1.6414
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
StereoCon

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1 - 1-[[(2E)-2-benzylidene-4-hydroxybutanoyl]amino]-3-phenylthiourea | 2 - 1-[[(2E)-2-benzylidene-4-hydroxybutanoyl]amino]-3-phenylthiourea

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