Menu

(4Z)-3-hydroxy-4-[[[2-[[(Z)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-4,8-bis(phenyldiazenyl)-5,7-dihydrotriazolo[4,5-f]benzotriazol-6-yl]amino]methylidene]cyclohexa-2,5-dien-1-one

Formula:C32H24N12O4 Mutagenic:low Tumorigenic:high Reproductive Effective:low (4Z)-3-hydroxy-4-[[[2-[[(Z)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-4,8-bis(phenyldiazenyl)-5,7-dihydrotriazolo[4,5-f]benzotriazol-6-yl]amino]methylidene]cyclohexa-2,5-dien-1-one is not a drug-like molecule.
MolName(4Z)-3-hydroxy-4-[[[2-[[(Z)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-4,8-bis(phenyldiazenyl)-5,7-dihydrotriazolo[4,5-f]benzotriazol-6-yl]amino]methylidene]cyclohexa-2,5-dien-1-one
MolecularFormulaC32H24N12O4
SmilesOC(/C(/C=C1)=C\NN(Nc2c(c3nn(N/C=C(/C=C4)\C(O)=CC4=O)nc33)/N=N/c4ccccc4)Nc2c3/N=N/c2ccccc2)=CC1=O
InChIInChI=1S/C32H24N12O4/c45-23-13-11-19(25(47)15-23)17-33-43-39-29-27(37-35-21-7-3-1-4-8-21)30-32(28(31(29)41-43)38-36-22-9-5-2-6-10-22)42-44(40-30)34-18-20-12-14-24(46)16-26(20)48/h1-18,33-34,39,41,47-48H
InChIKBWJUFUUCGBIVJY-UHFFFAOYSA-N
TotalMolweight640.623
Molweight640.623
MonoisotopicMass640.204348
CLogP3.4732
CLogS-7.425
H Acceptors16
H Donors6
TotalSurfaceArea475.82
Relative PSA0.37098
PolarSurfaceArea206.11
Druglikeness-0.87737
Mutageniclow
Tumorigenichigh
Reproductive Effectivelow
Irritantlow
Nasty Functionsazo
Shape Index0.4375
Fragments1
Non HAtoms48
NonCHAtoms16
Electronegative Atoms16
Rotatable Bond8
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms5
Symmetricatoms15
Aromatic Nitrogens3
StereoCon

Request More Details | (4Z)-3-hydroxy-4-[[[2-[[(Z)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-4,8-bis(phenyldiazenyl)-5,7-dihydrotriazolo[4,5-f]benzotriazol-6-yl]amino]methylidene]cyclohexa-2,5-dien-1-one


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