Menu

3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide

Formula:C24H22N10O5Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide is not a drug-like molecule.
MolName3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide
MolecularFormulaC24H22N10O5Cl2
SmilesNc1nonc1-n1nnc(CN2CCCC2)c1C(N/N=C\c(cc(cc1)[N+]([O-])=O)c1OCc(c(Cl)ccc1)c1Cl)=O
InChIInChI=1S/C24H22Cl2N10O5/c25-17-4-3-5-18(26)16(17)13-40-20-7-6-15(36(38)39)10-14(20)11-28-30-24(37)21-19(12-34-8-1-2-9-34)29-33-35(21)23-22(27)31-41-32-23/h3-7,10-11H,1-2,8-9,12-13H2,(H2,27,31)(H,30,37)
InChIKGDAMJXSFHASSTB-UHFFFAOYSA-N
TotalMolweight601.41
Molweight601.41
MonoisotopicMass600.115169
CLogP2.8753
CLogS-4.925
H Acceptors15
H Donors2
TotalSurfaceArea432.83
Relative PSA0.36991
PolarSurfaceArea195.4
Druglikeness-2.0183
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.43902
Fragments1
Non HAtoms41
NonCHAtoms17
Electronegative Atoms17
Rotatable Bond10
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms9
Symmetricatoms5
Amines1
AlkylAmines1
Aromatic Nitrogens5
BasicNitrogens1
AcidicOxygens1
StereoCon

Request More Details | 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide


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