Menu

[4-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate

Formula:C27H23N9O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.
MolName[4-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
MolecularFormulaC27H23N9O5
SmilesNc1nonc1-n1nnc(C(N/N=C\c(cc2)ccc2OC(c2ccco2)=O)=O)c1CN(CCC1)c2c1cccc2
InChIInChI=1S/C27H23N9O5/c28-24-25(33-41-32-24)36-21(16-35-13-3-6-18-5-1-2-7-20(18)35)23(30-34-36)26(37)31-29-15-17-9-11-19(12-10-17)40-27(38)22-8-4-14-39-22/h1-2,4-5,7-12,14-15H,3,6,13,16H2,(H2,28,32)(H,31,37)
InChIKRECMIVYJDQHDBJ-UHFFFAOYSA-N
TotalMolweight553.538
Molweight553.538
MonoisotopicMass553.182216
CLogP4.1625
CLogS-4.582
H Acceptors14
H Donors2
TotalSurfaceArea418
Relative PSA0.37522
PolarSurfaceArea179.79
Druglikeness2.2341
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.5122
Fragments1
Non HAtoms41
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms27
Sp3Atoms6
Symmetricatoms2
Amines1
Aromatic Amines1
Aromatic Nitrogens5
StereoCon

Request More Details | [4-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate


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