N-[(Z)-[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine

Formula:C24H19N4OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.

MolNameN-[(Z)-[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine
MolecularFormulaC24H19N4OBrS
SmilesBrc(cc1)ccc1OCCn1c(cccc2)c2c(/C=N\Nc2nc(cccc3)c3s2)c1
InChIInChI=1S/C24H19BrN4OS/c25-18-9-11-19(12-10-18)30-14-13-29-16-17(20-5-1-3-7-22(20)29)15-26-28-24-27-21-6-2-4-8-23(21)31-24/h1-12,15-16H,13-14H2,(H,27,28)
InChIKZRYMWARMZOHEOC-UHFFFAOYSA-N
TotalMolweight491.412
Molweight491.412
MonoisotopicMass490.046292
CLogP7.8154
CLogS-6.093
H Acceptors5
H Donors1
TotalSurfaceArea338.25
Relative PSA0.21041
PolarSurfaceArea79.68
Druglikeness2.865
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.6129
Fragments1
Non HAtoms31
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms24
Sp3Atoms3
Symmetricatoms2
Aromatic Nitrogens2
BasicNitrogens1
StereoCon

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