N-[(E)-2-(3-bromophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide

Formula:C17H13N4OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-2-(3-bromophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide is a drug-like molecule.

MolName	N-[(E)-2-(3-bromophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide
MolecularFormula	C17H13N4OBrS
Smiles	O=C(c1ccccc1)N/C(/C(NN1)=NC1=S)=C/c1cccc(Br)c1
InChI	InChI=1S/C17H13BrN4OS/c18-13-8-4-5-11(9-13)10-14(15-20-17(24)22-21-15)19-16(23)12-6-2-1-3-7-12/h1-10H,(H,19,23)(H2,20,21,22,24)
InChIK	OZKRGJQUQCJBGZ-UHFFFAOYSA-N
TotalMolweight	401.287
Molweight	401.287
MonoisotopicMass	399.999342
CLogP	2.472
CLogS	-5.399
H Acceptors	5
H Donors	3
TotalSurfaceArea	270.67
Relative PSA	0.32117
PolarSurfaceArea	97.61
Druglikeness	1.2255
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	1
BasicNitrogens	1
StereoCon

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