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

Formula:C24H21N3O5BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide is not a drug-like molecule.

MolName	N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
MolecularFormula	C24H21N3O5BrClS
Smiles	O=C(CN(CCc1ccccc1)S(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(cc1OCOc1c1)c1Br
InChI	InChI=1S/C24H21BrClN3O5S/c25-21-13-23-22(33-16-34-23)12-18(21)14-27-28-24(30)15-29(11-10-17-4-2-1-3-5-17)35(31,32)20-8-6-19(26)7-9-20/h1-9,12-14H,10-11,15-16H2,(H,28,30)
InChIK	USXCOLSMGGBUBK-UHFFFAOYSA-N
TotalMolweight	578.87
Molweight	578.87
MonoisotopicMass	577.00738
CLogP	5.3559
CLogS	-6.338
H Acceptors	8
H Donors	1
TotalSurfaceArea	381.22
Relative PSA	0.23121
PolarSurfaceArea	105.68
Druglikeness	6.0046
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-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide | 2 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide

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