N-(1,3-benzodioxol-5-yl)-2-[3-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]indol-1-yl]acetamide

Formula:C25H19N5O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(1,3-benzodioxol-5-yl)-2-[3-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]indol-1-yl]acetamide is not a drug-like molecule.

MolName	N-(1,3-benzodioxol-5-yl)-2-[3-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]indol-1-yl]acetamide
MolecularFormula	C25H19N5O3S
Smiles	O=C(Cn1c(cccc2)c2c(/C=N\Nc2nc(cccc3)c3s2)c1)Nc(cc1)cc2c1OCO2
InChI	InChI=1S/C25H19N5O3S/c31-24(27-17-9-10-21-22(11-17)33-15-32-21)14-30-13-16(18-5-1-3-7-20(18)30)12-26-29-25-28-19-6-2-4-8-23(19)34-25/h1-13H,14-15H2,(H,27,31)(H,28,29)
InChIK	VDVWRSOQZVJASJ-UHFFFAOYSA-N
TotalMolweight	469.524
Molweight	469.524
MonoisotopicMass	469.12086
CLogP	6.569
CLogS	-5.994
H Acceptors	8
H Donors	2
TotalSurfaceArea	345.33
Relative PSA	0.306
PolarSurfaceArea	118.01
Druglikeness	5.5961
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	4
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - N-(1,3-benzodioxol-5-yl)-2-[3-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]indol-1-yl]acetamide | 2 - N-(1,3-benzodioxol-5-yl)-2-[3-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]indol-1-yl]acetamide

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