2-[2-[(Z)-[[2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

Formula:C21H23N4O6BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(Z)-[[2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is not a drug-like molecule.

MolName	2-[2-[(Z)-[[2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
MolecularFormula	C21H23N4O6BrS
Smiles	OC(COc1c(/C=N\NC(CN(CC2)CCN2S(c(cc2)ccc2Br)(=O)=O)=O)cccc1)=O
InChI	InChI=1S/C21H23BrN4O6S/c22-17-5-7-18(8-6-17)33(30,31)26-11-9-25(10-12-26)14-20(27)24-23-13-16-3-1-2-4-19(16)32-15-21(28)29/h1-8,13H,9-12,14-15H2,(H,24,27)(H,28,29)
InChIK	BMHZOIMEPTWMKE-UHFFFAOYSA-N
TotalMolweight	539.406
Molweight	539.406
MonoisotopicMass	538.052167
CLogP	0.8574
CLogS	-2.818
H Acceptors	10
H Donors	2
TotalSurfaceArea	357.96
Relative PSA	0.30123
PolarSurfaceArea	136.99
Druglikeness	7.8122
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63636
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	5
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-[2-[(Z)-[[2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[[2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

Request More Details | 2-[2-[(Z)-[[2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments