Menu

N-[(Z)-(4-cyanophenyl)methylideneamino]-4-[(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)methyl]benzamide

Formula:C26H18N4O3S Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-(4-cyanophenyl)methylideneamino]-4-[(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)methyl]benzamide is a drug-like molecule.
MolNameN-[(Z)-(4-cyanophenyl)methylideneamino]-4-[(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)methyl]benzamide
MolecularFormulaC26H18N4O3S
SmilesN#Cc1ccc(/C=N\NC(c2ccc(CN(c3c(c4ccc5)c5ccc3)S4(=O)=O)cc2)=O)cc1
InChIInChI=1S/C26H18N4O3S/c27-15-18-7-9-19(10-8-18)16-28-29-26(31)22-13-11-20(12-14-22)17-30-23-5-1-3-21-4-2-6-24(25(21)23)34(30,32)33/h1-14,16H,17H2,(H,29,31)
InChIKAYGYLFVYMPZDGL-UHFFFAOYSA-N
TotalMolweight466.52
Molweight466.52
MonoisotopicMass466.109961
CLogP4.6322
CLogS-7.78
H Acceptors7
H Donors1
TotalSurfaceArea342.2
Relative PSA0.23875
PolarSurfaceArea111.01
Druglikeness-7.5856
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.58824
Fragments1
Non HAtoms34
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms2
Symmetricatoms5
Amides1
StereoCon

Request More Details | N-[(Z)-(4-cyanophenyl)methylideneamino]-4-[(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)methyl]benzamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments