Menu

1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(2,3-dihydroindol-1-ylmethyl)triazole-4-carboxamide

Formula:C28H24N9O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(2,3-dihydroindol-1-ylmethyl)triazole-4-carboxamide is not a drug-like molecule.
MolName1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(2,3-dihydroindol-1-ylmethyl)triazole-4-carboxamide
MolecularFormulaC28H24N9O3Cl
SmilesNc1nonc1-n1nnc(C(N/N=C\c2cccc(OCc3cccc(Cl)c3)c2)=O)c1CN(CC1)c2c1cccc2
InChIInChI=1S/C28H24ClN9O3/c29-21-8-3-6-19(13-21)17-40-22-9-4-5-18(14-22)15-31-33-28(39)25-24(38(36-32-25)27-26(30)34-41-35-27)16-37-12-11-20-7-1-2-10-23(20)37/h1-10,13-15H,11-12,16-17H2,(H2,30,34)(H,33,39)
InChIKKSBSMBANFLGFRK-UHFFFAOYSA-N
TotalMolweight570.012
Molweight570.012
MonoisotopicMass569.169063
CLogP5.1554
CLogS-5.237
H Acceptors12
H Donors2
TotalSurfaceArea425.98
Relative PSA0.30445
PolarSurfaceArea149.58
Druglikeness3.1871
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.5122
Fragments1
Non HAtoms41
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms28
Sp3Atoms6
Amines1
Aromatic Amines1
Aromatic Nitrogens5
StereoCon

Request More Details | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(2,3-dihydroindol-1-ylmethyl)triazole-4-carboxamide


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