1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]triazole-4-carboxamide
Formula:C25H21N9O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]triazole-4-carboxamide is not a drug-like molecule.
| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]triazole-4-carboxamide |
| MolecularFormula | C25H21N9O2 |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\c2cccc3ccccc23)=O)c1CN(CC1)c2c1cccc2 |
| InChI | InChI=1S/C25H21N9O2/c26-23-24(31-36-30-23)34-21(15-33-13-12-17-7-2-4-11-20(17)33)22(28-32-34)25(35)29-27-14-18-9-5-8-16-6-1-3-10-19(16)18/h1-11,14H,12-13,15H2,(H2,26,30)(H,29,35) |
| InChIK | FCSBYVBDZDJBPU-UHFFFAOYSA-N |
| TotalMolweight | 479.503 |
| Molweight | 479.503 |
| MonoisotopicMass | 479.181821 |
| CLogP | 4.3957 |
| CLogS | -4.766 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 361.64 |
| Relative PSA | 0.33096 |
| PolarSurfaceArea | 140.35 |
| Druglikeness | 3.4058 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 5 |
| StereoCon |
Click to Load Molecule:
1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]triazole-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off