[4-[(Z)-[[2-[2-[(4-bromophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate

Formula:C29H20N4O5BrI Mutagenic:none Tumorigenic:high Reproductive Effective:none [4-[(Z)-[[2-[2-[(4-bromophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[2-[2-[(4-bromophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
MolecularFormula	C29H20N4O5BrI
Smiles	O=C(C(N/N=C\c(cc1)ccc1OC(c(cccc1)c1I)=O)=O)Nc(cccc1)c1C(Nc(cc1)ccc1Br)=O
InChI	InChI=1S/C29H20BrIN4O5/c30-19-11-13-20(14-12-19)33-26(36)23-6-2-4-8-25(23)34-27(37)28(38)35-32-17-18-9-15-21(16-10-18)40-29(39)22-5-1-3-7-24(22)31/h1-17H,(H,33,36)(H,34,37)(H,35,38)
InChIK	JSVFCCOAQMYDRH-UHFFFAOYSA-N
TotalMolweight	711.305
Molweight	711.305
MonoisotopicMass	709.96618
CLogP	5.8842
CLogS	-8.357
H Acceptors	9
H Donors	3
TotalSurfaceArea	437.59
Relative PSA	0.24692
PolarSurfaceArea	125.96
Druglikeness	1.9985
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.625
Fragments	1
Non HAtoms	40
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	1
Symmetricatoms	4
Amides	2
StereoCon

Click to Load Molecule:

1 - [4-[(Z)-[[2-[2-[(4-bromophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate | 2 - [4-[(Z)-[[2-[2-[(4-bromophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate

Request More Details | [4-[(Z)-[[2-[2-[(4-bromophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments