Menu

(6E)-4-bromo-6-[[2-[4-[2-[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-6-(N-phenylanilino)-1,3,5-triazin-2-yl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one

Formula:C29H22N8O2Br2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (6E)-4-bromo-6-[[2-[4-[2-[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-6-(N-phenylanilino)-1,3,5-triazin-2-yl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one is not a drug-like molecule.
MolName(6E)-4-bromo-6-[[2-[4-[2-[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-6-(N-phenylanilino)-1,3,5-triazin-2-yl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
MolecularFormulaC29H22N8O2Br2
SmilesO=C(C=CC(Br)=C1)/C1=C/NNc1nc(NN/C=C(\C=C(C=C2)Br)/C2=O)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C29H22Br2N8O2/c30-21-11-13-25(40)19(15-21)17-32-37-27-34-28(38-33-18-20-16-22(31)12-14-26(20)41)36-29(35-27)39(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-18,32-33H,(H2,34,35,36,37,38)
InChIKSSMAPGLUNJFYBH-UHFFFAOYSA-N
TotalMolweight674.356
Molweight674.356
MonoisotopicMass672.023244
CLogP5.778
CLogS-9.004
H Acceptors10
H Donors4
TotalSurfaceArea442.8
Relative PSA0.24476
PolarSurfaceArea124.17
Druglikeness-2.2365
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.41463
Fragments1
Non HAtoms41
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond9
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms18
Symmetricatoms21
Aromatic Nitrogens3
BasicNitrogens3
StereoCon

Request More Details | (6E)-4-bromo-6-[[2-[4-[2-[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-6-(N-phenylanilino)-1,3,5-triazin-2-yl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one


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