[4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate

Formula:C22H17N3O5BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
MolecularFormula	C22H17N3O5BrClS
Smiles	O=C(CNS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(cc1)ccc1OC(c(cc1)ccc1Br)=O
InChI	InChI=1S/C22H17BrClN3O5S/c23-17-5-3-16(4-6-17)22(29)32-19-9-1-15(2-10-19)13-25-27-21(28)14-26-33(30,31)20-11-7-18(24)8-12-20/h1-13,26H,14H2,(H,27,28)
InChIK	VFFROQDNSRJFGK-UHFFFAOYSA-N
TotalMolweight	550.816
Molweight	550.816
MonoisotopicMass	548.97608
CLogP	4.7336
CLogS	-6.076
H Acceptors	8
H Donors	2
TotalSurfaceArea	362.35
Relative PSA	0.27346
PolarSurfaceArea	122.31
Druglikeness	4.1493
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.69697
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	7
Amides	1
StereoCon

Click to Load Molecule:

1 - [4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate | 2 - [4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate

Request More Details | [4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments