N-[(Z)-1-(4-bromophenyl)-3-(2-carbamothioylhydrazinyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C17H15N4O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(Z)-1-(4-bromophenyl)-3-(2-carbamothioylhydrazinyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(Z)-1-(4-bromophenyl)-3-(2-carbamothioylhydrazinyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C17H15N4O2BrS
Smiles	NC(NNC(/C(/NC(c1ccccc1)=O)=C/c(cc1)ccc1Br)=O)=S
InChI	InChI=1S/C17H15BrN4O2S/c18-13-8-6-11(7-9-13)10-14(16(24)21-22-17(19)25)20-15(23)12-4-2-1-3-5-12/h1-10H,(H,20,23)(H,21,24)(H3,19,22,25)
InChIK	FBFZKDNQYQHIAC-UHFFFAOYSA-N
TotalMolweight	419.302
Molweight	419.302
MonoisotopicMass	418.009907
CLogP	2.2899
CLogS	-5.066
H Acceptors	6
H Donors	4
TotalSurfaceArea	287.47
Relative PSA	0.36084
PolarSurfaceArea	128.34
Druglikeness	2.5945
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
Amides	1
StereoCon

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