N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide

Formula:C24H21N3O5Br2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide is not a drug-like molecule.

MolName	N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
MolecularFormula	C24H21N3O5Br2S
Smiles	O=C(CN(CCc1ccccc1)S(c(cc1)ccc1Br)(=O)=O)N/N=C\c(cc1OCOc1c1)c1Br
InChI	InChI=1S/C24H21Br2N3O5S/c25-19-6-8-20(9-7-19)35(31,32)29(11-10-17-4-2-1-3-5-17)15-24(30)28-27-14-18-12-22-23(13-21(18)26)34-16-33-22/h1-9,12-14H,10-11,15-16H2,(H,28,30)
InChIK	WYPBBDLPONAOBI-UHFFFAOYSA-N
TotalMolweight	623.321
Molweight	623.321
MonoisotopicMass	620.956864
CLogP	5.4751
CLogS	-6.436
H Acceptors	8
H Donors	1
TotalSurfaceArea	384.43
Relative PSA	0.22927
PolarSurfaceArea	105.68
Druglikeness	5.2795
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	5
Amides	1
StereoCon

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1 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide | 2 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide

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