Menu

4-[(Z)-[[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]benzoyl]hydrazinylidene]methyl]benzoate

Formula:C26H18N3O5S Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[(Z)-[[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]benzoyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.
MolName4-[(Z)-[[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]benzoyl]hydrazinylidene]methyl]benzoate
MolecularFormulaC26H18N3O5S
Smiles[O-]C(c1ccc(/C=N\NC(c2ccc(CN(c3c(c4ccc5)c5ccc3)S4(=O)=O)cc2)=O)cc1)=O
InChIInChI=1S/C26H19N3O5S/c30-25(28-27-15-17-7-13-21(14-8-17)26(31)32)20-11-9-18(10-12-20)16-29-22-5-1-3-19-4-2-6-23(24(19)22)35(29,33)34/h1-15H,16H2,(H,28,30)(H,31,32)/p-1
InChIKAAKOYCVQAYQRIG-UHFFFAOYSA-M
TotalMolweight484.511
Molweight484.511
MonoisotopicMass484.096717
CLogP2.2057
CLogS-7.02
H Acceptors8
H Donors1
TotalSurfaceArea345.77
Relative PSA0.27608
PolarSurfaceArea127.35
Druglikeness0.91299
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.57143
Fragments1
Non HAtoms35
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms3
Symmetricatoms5
Amides1
AcidicOxygens1
StereoCon

Request More Details | 4-[(Z)-[[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]benzoyl]hydrazinylidene]methyl]benzoate


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