[4-[(Z)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate

Formula:C25H19N4O4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
MolecularFormula	C25H19N4O4BrS
Smiles	N#Cc1c(NC(C(N/N=C\c(cc2)ccc2OC(c(cccc2)c2Br)=O)=O)=O)sc2c1CCCC2
InChI	InChI=1S/C25H19BrN4O4S/c26-20-7-3-1-6-18(20)25(33)34-16-11-9-15(10-12-16)14-28-30-23(32)22(31)29-24-19(13-27)17-5-2-4-8-21(17)35-24/h1,3,6-7,9-12,14H,2,4-5,8H2,(H,29,31)(H,30,32)
InChIK	LWJWMRSGGPYSEN-UHFFFAOYSA-N
TotalMolweight	551.42
Molweight	551.42
MonoisotopicMass	550.031037
CLogP	5.3482
CLogS	-7.854
H Acceptors	8
H Donors	2
TotalSurfaceArea	381.53
Relative PSA	0.30789
PolarSurfaceArea	148.89
Druglikeness	-6.2696
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	2
Amides	1
StereoCon

Click to Load Molecule:

1 - [4-[(Z)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate | 2 - [4-[(Z)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate

Request More Details | [4-[(Z)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments