2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide

Formula:C22H18N3O5BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide is not a drug-like molecule.

MolName	2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide
MolecularFormula	C22H18N3O5BrS
Smiles	O=C(CN(c(cc1)ccc1Br)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C22H18BrN3O5S/c23-17-7-9-18(10-8-17)26(32(28,29)19-4-2-1-3-5-19)14-22(27)25-24-13-16-6-11-20-21(12-16)31-15-30-20/h1-13H,14-15H2,(H,25,27)
InChIK	WTBYINSMXAKHPT-UHFFFAOYSA-N
TotalMolweight	516.371
Molweight	516.371
MonoisotopicMass	515.015053
CLogP	3.8874
CLogS	-6.471
H Acceptors	8
H Donors	1
TotalSurfaceArea	338.28
Relative PSA	0.26055
PolarSurfaceArea	105.68
Druglikeness	-2.9956
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	5
Amides	1
StereoCon

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