N-[5-[(E)-2-[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]-1-cyanoethenyl]-1,3,4-thiadiazol-2-yl]benzamide

Formula:C28H20N5O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[5-[(E)-2-[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]-1-cyanoethenyl]-1,3,4-thiadiazol-2-yl]benzamide is not a drug-like molecule.

MolName	N-[5-[(E)-2-[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]-1-cyanoethenyl]-1,3,4-thiadiazol-2-yl]benzamide
MolecularFormula	C28H20N5O2BrS
Smiles	N#C/C(/c1nnc(NC(c2ccccc2)=O)s1)=C\c1cn(CCOc(cc2)ccc2Br)c2c1cccc2
InChI	InChI=1S/C28H20BrN5O2S/c29-22-10-12-23(13-11-22)36-15-14-34-18-21(24-8-4-5-9-25(24)34)16-20(17-30)27-32-33-28(37-27)31-26(35)19-6-2-1-3-7-19/h1-13,16,18H,14-15H2,(H,31,33,35)
InChIK	QBRLQFWIGPZPDQ-UHFFFAOYSA-N
TotalMolweight	570.47
Molweight	570.47
MonoisotopicMass	569.052106
CLogP	5.4952
CLogS	-6.325
H Acceptors	7
H Donors	1
TotalSurfaceArea	401.58
Relative PSA	0.24212
PolarSurfaceArea	121.07
Druglikeness	-0.22328
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59459
Fragments	1
Non HAtoms	37
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	3
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	3
StereoCon

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